474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5,5]	5:3:1:1:	3:4:3:	4:4:2:2:4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl)	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	107.6067	0.435	3	107.6067	0.189	3	107.4583	0.206	12	107.4583	0.206	12	107.4583	0.206	12	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5,5]	5:3:1:1:	3:4:3:	4:4:2:2:4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	107.0460	0.791	2	107.4089	0.225	9	107.4583	0.206	12	107.4583	0.206	12	107.4583	0.206	12	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5,5]	5:3:1:1:	3:4:3:	4:4:2:2:4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	107.5590	0.443	4	107.4089	0.225	9	107.4583	0.206	12	107.4583	0.206	12	107.4583	0.206	12	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5,5]	5:3:1:1:	3:4:3:	4:4:2:2:4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	107.4507	0.334	3	107.4089	0.225	9	107.4583	0.206	12	107.4583	0.206	12	107.4583	0.206	12	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5]	3:5:1:1:	3:3:4:	4:2:4:4:3:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH){1|O<3>,2|C<4>,2|H<1>,3|C<3>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	106.5430	0.000	1	106.5430	0.000	1	106.5430	0.000	1	106.5430	0.000	1	108.9076	2.247	9	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5]	3:5:1:1:	3:4:3:	4:2:1:1:1:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:F-1:F-1:F-1:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2{1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|C<4>,3|F<1>,4|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3{1|C<3>,1|C<4>}	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	108.9076	2.247	9	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5]	3:5:1:1:	3:4:3:	4:2:4:4:1:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	109.1475	0.153	2	109.1475	0.024	2	109.1475	0.024	2	110.0067	2.226	3	108.9076	2.247	9	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5]	3:5:1:1:	3:4:3:	4:2:4:4:1:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	110.0067	2.226	3	108.9076	2.247	9	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5]	3:5:1:1:	3:4:3:	4:2:4:4:2:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:C-4:C-4:O-2:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	108.0125	0.579	2	108.0125	0.335	2	108.0125	0.335	2	108.0125	0.335	2	108.9076	2.247	9	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5]	3:5:1:1:	3:4:3:	4:2:4:4:3:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	108.1160	0.000	1	108.1160	0.000	1	108.7040	0.691	2	108.7040	0.691	2	108.9076	2.247	9	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5,6]	Si[5]	3:5:1:1:	3:4:3:	4:2:4:4:3:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	109.2920	0.000	1	109.2920	0.000	1	108.7040	0.691	2	108.7040	0.691	2	108.9076	2.247	9	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5]	Si[5]	5:3:1:1:	3:4:4:	4:2:4:4:1:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH){1|F<1>,1|H<1>,1|N<3>,3|C<4>}	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	110.7845	6.998	2	108.3147	2.337	23
474	542	931	5:SP3_SP2_SPD5	C[5]	N[5]	Si[5]	5:3:1:1:	4:3:2:	4:2:4:4:1:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2	N[5](C[5]Si[5]HH)(C[5]O[5]C)(NC)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2{1|C<4>}	N[5](C[5]Si[5]HH)(C[5]O[5]C)(NC){1|Cl<1>,2|C<4>}	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	110.7845	6.998	2	108.3147	2.337	23
474	542	939	0:SP3_SP2_SP2	C[5,5]	N[5]	Ge[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:N[5,5]-3:Ge[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:I-1:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C)	N[5](C[5,5]N[5,5]C[6a]Ge[5])(C[5]C[5]H)(CC[6a]N)	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C){4|C<3>,4|H<1>}	N[5](C[5,5]N[5,5]C[6a]Ge[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,1|I<1>,1|N<3>,3|C<3>}	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	118.8635	1.042	2	118.8635	1.085	2	118.8635	1.085	2	118.8635	1.085	2	118.8635	1.085	2	118.8635	1.085	2
474	542	939	5:SP3_SP2_SP2	C[5,5]	N[5,5]	Ge[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:N[5,5]-3:Ge[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:I-1:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C){4|C<3>,4|H<1>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1
474	542	939	5:SP3_SP2_SP3	C[5,5]	N[5,5]	Ge[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:N[5,5]-3:Ge[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:I-1:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C){4|C<3>,4|H<1>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	105.5640	0.000	1	105.5640	0.000	1	105.5640	0.000	1	105.5640	0.000	1	105.5640	0.000	1	105.5640	0.000	1
474	542	941	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:2:1:	3:4:3:	4:2:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[5]C[5,5]N[5]H)(NN)	109.3780	0.190	3	109.3780	0.036	3	109.4534	0.129	5	109.4534	0.129	5	109.7690	1.146	9	109.7690	1.146	9
474	542	941	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:2:1:	3:4:3:	4:2:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N-2:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[5]C[5,5]N[5]H)(NN)	109.5665	0.633	2	109.5665	0.401	2	109.4534	0.129	5	109.4534	0.129	5	109.7690	1.146	9	109.7690	1.146	9
474	542	941	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:2:1:	4:4:3:	4:2:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO){4|H<1>}	N(C[5]C[5]N[5]H)(NN)	112.4620	0.000	1	112.4620	0.000	1	110.2923	3.667	3	110.2923	3.667	3	109.7690	1.146	9	109.7690	1.146	9
474	542	941	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:2:1:	4:4:3:	4:2:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]HN)2(CC[6a]O)	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	N[5](C[5]C[5]HN)2(CC[6a]O){4|H<1>}	N(C[5]C[5]N[5]H)(NN)	109.2075	0.523	2	109.2075	0.273	2	110.2923	3.667	3	110.2923	3.667	3	109.7690	1.146	9	109.7690	1.146	9
474	542	941	0:SP3_SP2_SP2	C[5]	N[5]	N	4:3:3:2:	4:3:4:	4:3:	C[5]-4:N[5]-3:N-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC)	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH)	N(C[5]C[5]N[5]N)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC){1|O<1>,2|H<1>}	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	N(C[5]C[5]N[5]N)(CCO)	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7690	1.146	9	109.7690	1.146	9
474	542	941	0:SP3_SP2_SP3	C[5]	N[5]	N	4:3:2:1:	3:4:3:	4:2:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[5]C[5,5]N[5]H)(NN)	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	112.8253	3.892	4	112.8253	3.892	4
474	542	941	0:SP3_SP2_SP3	C[5]	N[5]	N	4:3:2:1:	4:4:3:	4:2:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO)	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO){4|H<1>}	N(C[5]C[5]N[5]H)(NN)	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	112.8253	3.892	4	112.8253	3.892	4
474	542	941	0:SP3_SP2_SP3	C[5]	N[5]	N	4:3:2:2:	3:4:3:	4:2:	C[5,6]-4:N[5]-3:N-2:N-2:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N-2:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO)	N(C[5]C[5,6]N[5]N)(NN)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[5]C[5,6]N[5]N)(NN)	113.4370	2.674	2	113.4370	7.152	2	113.4370	7.152	2	113.4370	7.152	2	112.8253	3.892	4	112.8253	3.892	4
474	542	945	0:SP3_SP2_SP3	C[5]	N[5]	P	4:3:3:1:	4:3:4:	4:3:3:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1
474	542	945	0:SP3_SP3_SP3	C[5]	N[5]	P	3:3:3:1:	3:4:4:	4:1:1:	N[5]-3:N[5]-3:P-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:H-1:H-1:	C[5](N[5]C[6a]C[5])2(PHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP)	P(C[5]N[5]2H)(H)2	C[5](N[5]C[6a]C[5])2(PHH)(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP){2|C<4>,2|H<1>,3|C<3>}	P(C[5]N[5]2H)(H)2	110.5125	0.186	2	110.5125	0.035	2	110.5125	0.035	2	110.5125	0.035	2	113.9830	33.305	4	113.9830	33.305	4
474	542	945	0:SP3_SP3_SP3	C[5]	N[5]	P	3:4:3:1:	3:4:4:	4:3:3:	N[5]-3:C[5]-4:P-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP)	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP){2|C<3>,2|H<1>,4|C<4>}	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	112.3690	0.000	1	112.3690	0.000	1	112.3690	0.000	1	112.3690	0.000	1	113.9830	33.305	4	113.9830	33.305	4
474	542	945	0:SP3_SP3_SP3	C[5]	N[5]	P	4:3:3:1:	4:3:4:	4:3:3:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	122.5380	0.000	1	122.5380	0.000	1	122.5380	0.000	1	122.5380	0.000	1	113.9830	33.305	4	113.9830	33.305	4
474	542	951	0:SP3_SP-NON_SP2	C[3x5]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	H(C[3x5]C[5,5]N[5,5]2)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[3x5]C[5,5]N[5,5]2)	112.2700	0.000	1	112.2700	0.000	1	112.2700	0.000	1	112.2700	0.000	1	112.5037	0.157	3	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[3x5]	N[5,5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[3x5]C[5,5]N[5,5]2)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[3x5]C[5,5]N[5,5]2)	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	112.5037	0.157	3	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[3x5]	N[5,5]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	H(C[3x5]C[5,5]2N[5,5])	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	H(C[3x5]C[5,5]2N[5,5])	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.5037	0.157	3	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,3x6]	N[5,6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5,6]-3:C[5]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H){10|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-3:S[5,6]-2:H-1:	Si[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H)	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2)	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H){1|N<2>,3|C<3>}	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:3:3:1:	4:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.2570	0.226	2	116.2570	0.051	2	116.2570	0.051	2	116.2570	0.051	2	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	115.9370	0.000	1	115.9370	0.000	1	116.0460	0.024	2	116.0460	0.024	2	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.1550	0.000	1	116.1550	0.000	1	116.0460	0.024	2	116.0460	0.024	2	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:2:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	111.9390	0.360	6	111.9390	0.130	6	111.9390	0.130	6	111.9390	0.130	6	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO)	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	121.0025	0.063	2	121.0025	0.004	2	119.5597	6.247	3	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O)	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H){2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O){1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	116.6740	0.000	1	116.6740	0.000	1	119.5597	6.247	3	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2){4|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.4940	0.173	2	115.4940	0.030	2	115.4940	0.030	2	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	111.2300	0.000	1	110.8907	0.092	3	110.8032	0.054	6	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7210	0.105	2	110.8907	0.092	3	110.8032	0.054	6	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.5590	0.000	1	110.5590	0.000	1	110.8032	0.054	6	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7630	0.000	1	110.7940	0.002	2	110.8032	0.054	6	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.8250	0.000	1	110.7940	0.002	2	110.8032	0.054	6	114.0442	17.128	11	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CCO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CCO){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.7480	0.000	1	114.7480	0.000	1	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.7010	0.000	1	114.7010	0.000	1	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.3510	0.000	1	114.3510	0.000	1	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2H)2(COO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)2(COO){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.9220	0.000	1	114.9220	0.000	1	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.7075	0.207	2	114.7075	0.043	2	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O){8|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	113.9320	2.304	4	113.9320	5.309	4	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S){8|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.8972	0.151	9	114.8972	0.023	9	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(COO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)2(COO){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.6250	0.000	1	114.6250	0.000	1	114.6283	0.997	20	114.6283	0.997	20	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.4925	0.436	2	109.4925	0.190	2	109.4925	0.190	2	109.4925	0.190	2	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7360	0.031	2	110.7360	0.001	2	110.7360	0.001	2	110.7360	0.001	2	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|Br<1>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.4000	0.038	2	110.3637	0.005	3	110.3637	0.005	3	110.3637	0.005	3	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.2910	0.000	1	110.3637	0.005	3	110.3637	0.005	3	110.3637	0.005	3	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	113.5643	7.364	51	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){2|O<1>,3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]N[5,6]2)	112.3060	0.398	3	112.3060	0.159	3	112.1757	0.174	4	112.1757	0.174	4	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.7850	0.000	1	111.7850	0.000	1	112.1757	0.174	4	112.1757	0.174	4	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.5430	0.051	2	110.6698	0.430	9	110.6698	0.430	9	110.6698	0.430	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	111.1930	0.000	1	110.6698	0.430	9	110.6698	0.430	9	110.6698	0.430	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7070	0.000	1	110.6698	0.430	9	110.6698	0.430	9	110.6698	0.430	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7990	0.194	2	110.6698	0.430	9	110.6698	0.430	9	110.6698	0.430	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.8650	0.000	1	110.6698	0.430	9	110.6698	0.430	9	110.6698	0.430	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	111.4590	0.000	1	110.6698	0.430	9	110.6698	0.430	9	110.6698	0.430	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.1200	0.000	1	110.6698	0.430	9	110.6698	0.430	9	110.6698	0.430	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	3:4:4:1:	4:3:3:	4:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.4790	0.000	1	115.4790	0.000	1	115.4790	0.000	1	115.4790	0.000	1	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.4710	0.000	1	111.4710	0.000	1	111.3065	0.054	2	111.0478	0.107	5	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.1420	0.000	1	111.1420	0.000	1	111.3065	0.054	2	111.0478	0.107	5	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	111.0478	0.107	5	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7210	0.095	2	110.7210	0.009	2	110.7210	0.009	2	111.0478	0.107	5	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[5,5,6]C[5,5,6]N[5,6]2)	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]N[5,6]2)	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	116.6783	0.150	3	116.6783	0.022	3	115.8158	1.406	5	113.0652	11.492	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.5220	0.028	2	114.5220	0.001	2	115.8158	1.406	5	113.0652	11.492	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.9440	0.000	1	109.9440	0.000	1	109.6270	0.398	4	113.0652	11.492	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.5213	0.728	3	109.5213	0.530	3	109.6270	0.398	4	113.0652	11.492	9	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){2|C<4>,2|O<1>,7|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	111.5010	0.000	2	111.5010	0.000	2	111.5010	0.000	2	111.5010	0.000	2	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H){3|C<3>,7|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	115.2750	0.000	1	115.2750	0.000	1	115.1395	0.037	2	115.0755	2.876	8	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H){2|C<3>,6|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){3|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	115.0040	0.000	1	115.0040	0.000	1	115.1395	0.037	2	115.0755	2.876	8	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[3,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	H(C[5,5,6]C[3,5,6]C[5,5]N[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|O<1>,2|H<1>}	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]N[5,6])	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	115.0755	2.876	8	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.5120	0.000	1	115.5120	0.000	1	115.8680	0.054	5	115.0755	2.876	8	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|Br<1>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.9570	0.140	4	115.9570	0.020	4	115.8680	0.054	5	115.0755	2.876	8	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){1|H<1>,1|O<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	114.3880	10.693	3	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	110.6800	0.000	1	110.6800	0.000	1	113.7695	19.090	2	114.3880	10.693	3	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCO){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	116.8590	0.000	1	116.8590	0.000	1	113.7695	19.090	2	114.3880	10.693	3	112.7350	6.292	43	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.3160	0.000	1	111.3160	0.000	1	111.4395	0.031	2	111.4395	0.031	2	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.5630	0.000	1	111.5630	0.000	1	111.4395	0.031	2	111.4395	0.031	2	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2N[5])	112.4110	0.143	2	112.4110	0.020	2	112.4110	0.020	2	112.4110	0.020	2	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:N[5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2N[5])	112.8550	0.000	1	112.8550	0.000	1	112.7730	0.005	3	112.7730	0.005	3	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:N[5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2N[5])	112.7320	0.000	2	112.7320	0.000	2	112.7730	0.005	3	112.7730	0.005	3	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	111.1475	0.824	2	111.1475	0.679	2	111.1475	0.679	2	111.1475	0.679	2	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:N[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H)	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H){1|S<1>,4|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO){3|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	110.2297	0.041	3	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2297	0.041	3	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:N[5]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.2297	0.041	3	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.0980	0.133	2	110.5522	0.191	6	110.5522	0.191	6	110.7739	0.264	9	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Br<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.5640	0.000	1	110.5522	0.191	6	110.5522	0.191	6	110.7739	0.264	9	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.6455	0.036	2	110.5522	0.191	6	110.5522	0.191	6	110.7739	0.264	9	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.2620	0.000	1	110.5522	0.191	6	110.5522	0.191	6	110.7739	0.264	9	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H){1|C<3>,1|N<2>,2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.7739	0.264	9	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H)	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]N[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]N[5])	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	110.7739	0.264	9	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H)	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2N[5])	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	110.7739	0.264	9	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C-4:N[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H)	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5])	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5]){1|N<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	113.3160	0.000	1	113.3160	0.000	1	113.3160	0.000	1	113.3160	0.000	1	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.8422	0.884	20	109.8438	0.743	21	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,4|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.8740	0.000	1	109.8438	0.743	21	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[3]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[3]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.5580	0.000	1	110.5580	0.000	1	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.9800	0.320	2	109.9800	0.102	2	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.4440	0.000	1	109.4440	0.000	1	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.4690	0.449	3	110.4690	0.201	3	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.6960	0.354	2	109.6960	0.125	2	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.8925	0.202	2	109.8925	0.041	2	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.8371	0.304	8	109.8371	0.092	8	109.8990	0.461	40	109.8990	0.461	40	110.4322	1.153	63	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:2:4:1:	3:4:4:	4:	N[5,5]-3:O[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:3:3:1:	4:4:2:	4:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	H(C[5,5]N[5,5]N[5]2)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){1|N<3>,4|C<4>}	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]N[5,5]N[5]2)	110.3567	0.633	3	110.3518	0.202	5	110.3518	0.202	5	110.3518	0.202	5	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:3:3:1:	4:4:2:	4:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	H(C[5,5]N[5,5]N[5]2)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){5|C<4>}	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,3|C<4>}	H(C[5,5]N[5,5]N[5]2)	110.3445	0.080	2	110.3518	0.202	5	110.3518	0.202	5	110.3518	0.202	5	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:3:4:1:	3:4:4:	4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	109.3350	0.000	1	109.3350	0.000	1	109.8550	0.541	2	109.8550	0.541	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:3:4:1:	3:4:4:	4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.3750	0.000	1	110.3750	0.000	1	109.8550	0.541	2	109.8550	0.541	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H)	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	112.0810	0.532	2	112.0810	0.283	2	112.0810	0.283	2	112.0810	0.283	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	109.9295	5.962	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H)	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]S[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]S[5])	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	109.9295	5.962	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	3:4:3:	4:	N[5,5]-3:C[3,5,5]-4:C-3:H-1:	P[3,5,5]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H)	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2)	H(C[5,5]C[3,5,5]N[5,5]C)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H){2|C<3>}	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[3,5,5]N[5,5]C)	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	114.4783	33.734	3	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	121.0560	0.000	1	115.5560	60.500	2	115.5560	60.500	2	114.4783	33.734	3	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	110.0560	0.000	1	115.5560	60.500	2	115.5560	60.500	2	114.4783	33.734	3	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5])	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){1|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5]){1|Pd<4>,1|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.4920	0.000	1	110.7705	0.155	2	110.7705	0.155	2	110.7705	0.155	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5])	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5]){1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	111.0490	0.000	1	110.7705	0.155	2	110.7705	0.155	2	110.7705	0.155	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,1|S<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,1|S<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0270	0.000	1	110.0270	0.000	1	110.7394	0.406	7	110.9450	0.490	10	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H){1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.6750	0.599	4	110.6750	0.359	4	110.7394	0.406	7	110.9450	0.490	10	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7970	0.000	1	110.7970	0.000	1	110.7394	0.406	7	110.9450	0.490	10	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H){1|H<1>,1|S<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.6520	0.000	1	111.6520	0.000	1	110.7394	0.406	7	110.9450	0.490	10	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.6030	0.000	1	111.6030	0.000	1	111.4247	0.495	3	110.9450	0.490	10	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.6490	0.000	1	110.6490	0.000	1	111.4247	0.495	3	110.9450	0.490	10	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H)	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	112.0220	0.000	1	112.0220	0.000	1	111.4247	0.495	3	110.9450	0.490	10	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6885	0.008	2	109.6885	0.000	2	109.3905	0.447	6	109.3905	0.447	6	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.0740	1.359	2	109.0740	1.847	2	109.3905	0.447	6	109.3905	0.447	6	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4840	0.000	1	109.4840	0.000	1	109.3905	0.447	6	109.3905	0.447	6	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|O<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3340	0.000	1	109.3340	0.000	1	109.3905	0.447	6	109.3905	0.447	6	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:P[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4240	0.013	2	110.4240	0.000	2	110.4240	0.000	2	110.0938	0.185	4	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.7635	0.343	2	109.7635	0.118	2	109.7635	0.118	2	110.0938	0.185	4	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	111.0755	0.287	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,2|C<3>,8|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	111.0755	0.287	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:Si[5]-4:C[5,5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5])	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5]){2|C<4>,5|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.2440	0.654	3	110.2440	0.427	3	110.2440	0.427	3	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5640	0.000	1	109.5640	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,6|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8770	0.000	1	108.8770	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7990	0.000	1	109.7990	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.5065	0.159	2	111.5065	0.025	2	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9945	0.818	2	109.2910	0.598	3	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8840	0.000	1	109.2910	0.598	3	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.2870	0.000	1	111.2870	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]N)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]N){2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.8080	0.000	1	110.8080	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.0720	0.000	1	108.0720	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9360	0.000	1	109.9360	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0140	0.000	1	110.0500	0.003	2	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|N<3>,1|O<1>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0860	0.000	1	110.0500	0.003	2	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O){2|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.2190	0.000	1	111.2190	0.000	1	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7895	0.260	2	109.7895	0.067	2	110.0075	1.027	17	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H)	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<4>,9|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	124.2740	0.000	1	122.6073	2.269	3	122.6073	2.269	3	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	121.7740	0.610	2	122.6073	2.269	3	122.6073	2.269	3	111.5129	18.426	25	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){1|F<1>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.5140	0.014	2	112.5140	0.000	2	112.3698	0.015	17	112.3698	0.015	17	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){5|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.1805	0.016	2	112.1805	0.000	2	112.3698	0.015	17	112.3698	0.015	17	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O){1|C<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.3793	0.133	6	112.3793	0.018	6	112.3698	0.015	17	112.3698	0.015	17	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.3973	0.098	3	112.3744	0.006	7	112.3698	0.015	17	112.3698	0.015	17	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.3572	0.062	4	112.3744	0.006	7	112.3698	0.015	17	112.3698	0.015	17	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.8645	0.216	2	108.8645	0.047	2	108.8645	0.047	2	109.0187	0.095	3	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	H(C[5,5]C[5,6]N[5,5]S[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6]N[5,5]S[5])	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.0187	0.095	3	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H){2|C<4>,2|O<1>,3|C<3>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.2110	0.000	1	111.2110	0.000	1	111.2110	0.000	1	110.9250	0.164	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]N[5])	110.6390	0.000	1	110.6390	0.000	1	110.6390	0.000	1	110.9250	0.164	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|C<3>,2|N<3>,2|O<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	107.1225	13.546	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	H(C[5,5]C[5,6,6]N[5,5]2)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,6,6]N[5,5]2)	104.5200	0.000	1	104.5200	0.000	1	104.5200	0.000	1	107.1225	13.546	2	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:3:4:	4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	H(C[5,5]C[3x5,6]N[5,5]C[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]N[5,5]C[5])	109.5470	0.031	2	109.5470	0.001	2	110.0478	0.364	4	110.0478	0.364	4	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:3:4:	4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH)	H(C[5,5]C[3x5,6]N[5,5]C[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[3x5,6]N[5,5]C[5])	110.5485	0.299	2	110.5485	0.089	2	110.0478	0.364	4	110.0478	0.364	4	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.9380	0.000	1	110.9380	0.000	1	109.3970	4.749	2	109.8028	2.113	5	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.8560	0.000	1	107.8560	0.000	1	109.3970	4.749	2	109.8028	2.113	5	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6180	0.000	1	109.6180	0.000	1	110.0733	1.576	3	109.8028	2.113	5	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1090	0.000	1	109.1090	0.000	1	110.0733	1.576	3	109.8028	2.113	5	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]H){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.4930	0.000	1	111.4930	0.000	1	110.0733	1.576	3	109.8028	2.113	5	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:C[5,5]-4:N[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	111.0445	7.329	99	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	H(C[5,5]N[5,6,6]C[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|C<3>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,6,6]C[5,5]N[5])	111.6305	0.114	2	111.6305	0.013	2	111.7895	0.051	4	111.7895	0.051	4	111.7895	0.051	4	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	H(C[5,5]N[5,6,6]C[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,5]N[5,6,6]C[5,5]N[5])	111.9485	0.197	2	111.9485	0.039	2	111.7895	0.051	4	111.7895	0.051	4	111.7895	0.051	4	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	111.0668	0.590	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.4690	0.000	1	111.4690	0.000	1	111.2150	0.071	3	111.2150	0.071	3	111.0668	0.590	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.2390	0.000	1	111.2390	0.000	1	111.2150	0.071	3	111.2150	0.071	3	111.0668	0.590	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	110.9370	0.000	1	110.9370	0.000	1	111.2150	0.071	3	111.2150	0.071	3	111.0668	0.590	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H)	H(C[5,5]C[5,5]N[5,6]C[5])	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]N[5,6]C[5])	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	111.0668	0.590	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH){2|C<4>,4|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.0245	0.479	4	110.0245	0.230	4	110.0245	0.230	4	110.0245	0.230	4	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5,5a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5a]C[5,5]N[5])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H){4|H<1>,5|C<3>}	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5a]C[5,5]N[5])	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	110.4220	3.060	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H){4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	110.4220	3.060	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.8075	0.132	2	111.0737	0.137	4	111.0737	0.137	4	111.1678	0.147	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.5740	0.000	1	111.0737	0.137	4	111.0737	0.137	4	111.1678	0.147	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.1060	0.000	1	111.0737	0.137	4	111.0737	0.137	4	111.1678	0.147	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H){4|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.1678	0.147	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6860	0.000	1	111.6860	0.000	1	111.9600	0.150	2	111.9767	0.076	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.2340	0.000	1	112.2340	0.000	1	111.9600	0.150	2	111.9767	0.076	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:1:	4:	N[5]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]S)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H){1|H<1>,2|S<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]S)(H){1|C<4>,1|N<3>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	111.9767	0.076	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5])	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]){1|H<1>,2|C<4>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.3875	0.122	2	110.3875	0.015	2	110.3875	0.015	2	111.4952	1.316	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:2:	4:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.3730	0.000	1	112.2337	0.580	3	112.2337	0.580	3	111.4952	1.316	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:2:	4:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.6640	0.222	2	112.2337	0.580	3	112.2337	0.580	3	111.4952	1.316	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CC[5,6]O)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CC[5,6]O){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	109.4211	3.352	17	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(SCN)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(SCN){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	109.4211	3.352	17	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.3290	0.429	4	110.3290	0.184	4	108.8030	1.740	14	109.4211	3.352	17	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	108.0655	1.136	4	108.0655	1.290	4	108.8030	1.740	14	109.4211	3.352	17	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	108.2773	1.005	6	108.2773	1.011	6	108.8030	1.740	14	109.4211	3.352	17	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	H(C[5,5]C[5,5]N[5]2)	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H){1|H<1>,2|S<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	109.4211	3.352	17	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H){1|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.5556	0.082	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[3x5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH)	H(C[5,5]C[5,6a]C[3x5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]N[5])	111.5230	0.000	1	111.5230	0.000	1	111.5230	0.000	1	111.5556	0.082	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5]N[5,5a]C[5,5]N[5])	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(C[5,5]N[5,5a]C[5,5]N[5])	111.5660	0.405	3	111.5660	0.164	3	111.5660	0.164	3	111.5556	0.082	5	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:P[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(P[5]O[5]BC)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(P[5]O[5]BC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.2435	0.043	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.2435	0.043	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO){1|H<1>,1|N<3>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	111.5930	0.333	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H){2|C<3>,2|O<1>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9345	0.298	4	111.9345	0.089	4	111.7310	0.274	5	111.5930	0.333	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.9170	0.000	1	110.9170	0.000	1	111.7310	0.274	5	111.5930	0.333	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:4:1:	4:3:3:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3384	0.319	5	111.3384	0.102	5	111.1914	0.153	7	111.1914	0.153	7	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8240	0.365	2	110.8240	0.133	2	111.1914	0.153	7	111.1914	0.153	7	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:2:3:1:	4:3:3:	4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCO){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.3050	0.000	1	111.3050	0.000	1	110.9995	0.187	2	110.9995	0.187	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	110.6940	0.000	1	110.6940	0.000	1	110.9995	0.187	2	110.9995	0.187	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	104.8160	0.000	1	104.8160	0.000	1	107.7875	17.660	2	110.0585	4.553	8	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.7590	0.000	1	110.7590	0.000	1	107.7875	17.660	2	110.0585	4.553	8	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.4480	0.000	1	110.4480	0.000	1	110.8572	0.145	4	110.0585	4.553	8	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	110.6180	0.000	1	110.6180	0.000	1	110.8572	0.145	4	110.0585	4.553	8	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){1|C<2>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1860	0.000	1	111.1860	0.000	1	110.8572	0.145	4	110.0585	4.553	8	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1770	0.000	1	111.1770	0.000	1	110.8572	0.145	4	110.0585	4.553	8	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.7320	0.037	2	110.7320	0.001	2	110.7320	0.001	2	110.0585	4.553	8	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[3x5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO)	H(C[5,5]C[3x5]N[5]O[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[3x5]N[5]O[5])	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	110.8821	0.150	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.8821	0.150	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.6650	0.000	1	110.7885	0.029	4	110.8220	0.100	7	110.8821	0.150	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.8297	0.182	3	110.7885	0.029	4	110.8220	0.100	7	110.8821	0.150	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.6155	0.349	2	110.8667	0.250	3	110.8220	0.100	7	110.8821	0.150	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	111.3690	0.000	1	110.8667	0.250	3	110.8220	0.100	7	110.8821	0.150	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:2:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H){1|O<1>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5]N[5]2)	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	112.6347	1.509	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	111.7990	0.000	1	111.7990	0.000	1	111.9295	0.034	2	112.6347	1.509	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]N)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]N)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	112.0600	0.000	1	112.0600	0.000	1	111.9295	0.034	2	112.6347	1.509	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	111.2436	0.390	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	109.7970	0.000	1	109.7970	0.000	1	111.2965	0.399	10	111.2436	0.390	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|H<1>,2|F<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1070	0.000	1	111.1070	0.000	1	111.2965	0.399	10	111.2436	0.390	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|P<3>,2|F<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.3500	0.157	2	111.3500	0.025	2	111.2965	0.399	10	111.2436	0.390	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|S<2>,2|F<1>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.3053	0.165	4	111.3053	0.027	4	111.2965	0.399	10	111.2436	0.390	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|Se<1>,4|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se){1|B<3>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	112.0700	0.010	2	112.0700	0.000	2	111.2965	0.399	10	111.2436	0.390	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:2:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	H(C[5,5]C[3x5]N[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[3x5]N[5]2)	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.1780	0.000	1	111.1780	0.000	1	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.7400	0.078	2	111.7400	0.006	2	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|I<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.0490	0.000	1	111.4445	0.313	2	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8400	0.000	1	111.4445	0.313	2	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.4230	0.000	1	111.4230	0.000	1	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.7390	0.000	1	111.7390	0.000	1	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.2100	0.000	1	110.8497	0.130	3	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.6695	0.255	2	110.8497	0.130	3	111.3258	0.204	10	111.3393	0.185	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:2:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.2090	0.243	2	112.2090	0.059	2	112.2090	0.059	2	112.2090	0.059	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H){5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.5065	0.606	2	111.5065	0.367	2	111.7933	0.430	3	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.3670	0.000	1	112.3670	0.000	1	111.7933	0.430	3	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H)	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.9190	0.000	1	111.9190	0.000	1	111.9190	0.000	1	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8910	0.000	1	111.8910	0.000	1	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	H(C[5,5]C[5,5]N[5]2)	111.7170	0.000	1	111.7170	0.000	1	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.0230	0.000	1	112.0230	0.000	1	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	112.2040	0.000	1	112.2040	0.000	1	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	107.7080	0.491	4	107.7080	0.241	4	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.8310	0.014	2	110.8310	0.000	2	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	112.2240	0.127	2	112.2240	0.016	2	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.9170	0.000	1	111.8785	0.003	2	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.8400	0.000	1	111.8785	0.003	2	110.6096	3.874	14	110.8796	3.284	18	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[3x5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	111.0560	0.000	1	111.0560	0.000	1	111.0560	0.000	1	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.0015	0.097	2	111.0015	0.009	2	111.0015	0.009	2	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6830	0.000	1	111.6830	0.000	1	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.3795	0.047	2	110.3795	0.002	2	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.4605	0.155	2	111.4605	0.024	2	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.7280	0.000	1	111.7280	0.000	1	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.1420	0.000	1	111.3825	0.116	2	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6230	0.000	1	111.3825	0.116	2	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.1260	0.226	2	111.1260	0.051	2	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	109.1830	0.000	1	109.1830	0.000	1	111.0265	0.600	11	111.0250	0.463	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[3x5]N[5,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[3x5]N[5,5]N[5])	110.5880	0.000	1	110.5440	0.004	2	110.5440	0.004	2	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[3x5]N[5,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[3x5]N[5,5]N[5])	110.5000	0.000	1	110.5440	0.004	2	110.5440	0.004	2	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5,6]N[5]2)	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]N[5,6,6]C[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|C<3>}	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]N[5,6,6]C[5,5]N[5])	111.7550	0.000	1	111.7550	0.000	1	111.8833	0.025	3	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]N[5,6,6]C[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]N[5,6,6]C[5,5]N[5])	111.9475	0.161	2	111.9475	0.026	2	111.8833	0.025	3	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.3088	0.117	4	112.3088	0.014	4	112.2330	0.046	6	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.3260	0.000	1	112.0815	0.120	2	112.2330	0.046	6	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){2|H<1>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.8370	0.000	1	112.0815	0.120	2	112.2330	0.046	6	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H){2|C<3>,3|H<1>,4|C<4>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]N[5])	92.4749	0.000	1	92.4749	0.000	1	92.4749	0.000	1	110.4428	27.097	14	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(COO)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]N[5]2)	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H){3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6300	0.000	1	110.6300	0.000	1	111.0090	0.108	3	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1780	0.000	1	111.1780	0.000	1	111.0090	0.108	3	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[3]O)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[3]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]N[5])	111.2190	0.000	1	111.2190	0.000	1	111.0090	0.108	3	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]O)(C[6a]C[6a]2)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.4400	0.273	4	111.4400	0.075	4	111.4400	0.075	4	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(NOO){1|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]N[5]2)	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	111.3355	0.330	11	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H)	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H)	H(C[5,5]C[3x5]N[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5]N[5]2)	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5,6]C[5]N[5])	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[5,5]C[5,5,6]N[5]2)	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5,6]N[5]2)	111.8680	0.025	2	111.8680	0.001	2	112.0292	0.019	6	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5,6]N[5]2)	112.1097	0.070	4	112.1097	0.005	4	112.0292	0.019	6	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(SC[6a]OO)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(SC[6a]OO){2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]N[5]2)	111.2210	0.000	1	111.2210	0.000	1	111.5530	0.220	2	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(SC[6a]OO)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]N[5]2)	111.8850	0.000	1	111.8850	0.000	1	111.5530	0.220	2	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.9130	0.000	1	111.9130	0.000	1	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	109.2470	0.000	1	109.2470	0.000	1	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.9400	0.000	1	111.9400	0.000	1	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]Ir)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|Ir<4>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]Ir)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	112.6397	0.521	4	112.6397	0.272	4	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|N<3>,1|O<1>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8575	0.108	2	111.8575	0.012	2	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	112.0695	0.016	2	112.0695	0.000	2	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6785	0.317	2	111.6785	0.101	2	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.9835	0.022	2	111.9835	0.000	2	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|H<1>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5]N[5]2)	105.4150	0.000	1	111.2325	2.862	15	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|H<1>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	109.9160	0.000	1	111.2325	2.862	15	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|N<3>,1|O<1>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8505	0.095	2	111.2325	2.862	15	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.7687	0.234	11	111.2325	2.862	15	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|C<3>,1|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.4262	0.368	4	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|C<3>,1|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.3555	0.326	4	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6300	0.434	52	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|Yb<9>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.7450	0.055	2	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6072	0.462	1016	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.4832	0.307	4	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<2>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.9447	0.552	22	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|H<1>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.5820	0.000	1	111.6132	0.215	1105	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.3438	0.068	6	111.3438	0.005	6	111.6108	0.256	1141	111.6128	0.256	1153	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.4400	0.000	1	111.4400	0.000	1	111.3815	0.007	2	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.3230	0.000	1	111.3230	0.000	1	111.3815	0.007	2	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.7700	0.000	1	111.7700	0.000	1	111.3447	0.275	3	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	111.5050	0.000	1	111.5050	0.000	1	111.3447	0.275	3	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|I<1>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CC[6a]O){1|C<4>,1|I<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.7590	0.000	1	110.7590	0.000	1	111.3447	0.275	3	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.8470	0.000	1	111.8470	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.2760	0.228	2	111.2760	0.052	2	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|Br<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.0310	0.000	1	112.0310	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	108.1660	0.000	1	108.1660	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.2340	0.000	1	112.2340	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.8070	0.000	1	111.8070	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){1|N<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.7750	0.000	1	111.7750	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.1385	0.207	2	112.1385	0.043	2	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.9080	0.000	1	111.9080	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.8260	0.000	1	111.8260	0.000	1	111.5353	1.227	12	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H){1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]N[5]2)	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	111.5127	0.869	19	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.7790	0.000	1	110.7790	0.000	1	111.1580	0.287	2	111.1580	0.287	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.5370	0.000	1	111.5370	0.000	1	111.1580	0.287	2	111.1580	0.287	2	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,2|C<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.3263	0.051	4	110.3263	0.003	4	110.3263	0.003	4	110.3263	0.003	4	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.5200	0.000	1	110.5200	0.000	1	110.1972	0.182	5	110.3837	0.566	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.7335	0.090	2	109.9750	0.179	3	110.1972	0.182	5	110.3837	0.566	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.4580	0.000	1	109.9750	0.179	3	110.1972	0.182	5	110.3837	0.566	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.5410	0.000	1	110.5410	0.000	1	110.1972	0.182	5	110.3837	0.566	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.9560	1.281	2	109.9560	1.642	2	109.9560	1.642	2	110.3837	0.566	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.2775	0.151	2	111.2775	0.023	2	111.2775	0.023	2	110.3837	0.566	9	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-2:B-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H)	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(BC[5]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H){1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(BC[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]2N[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]2N[5])	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5820	0.000	1	110.5335	0.005	2	110.1847	0.785	4	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|S<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.4850	0.000	1	110.5335	0.005	2	110.1847	0.785	4	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|S<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8010	0.000	1	110.8010	0.000	1	110.1847	0.785	4	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]S)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|S<1>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]S)(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	108.8710	0.000	1	108.8710	0.000	1	110.1847	0.785	4	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(O)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.3230	0.409	3	111.2900	0.116	4	111.2900	0.116	4	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.1910	0.000	1	111.2900	0.116	4	111.2900	0.116	4	110.9356	0.746	10	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	110.9390	0.353	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.4720	0.000	1	111.4720	0.000	1	110.8855	0.688	2	110.9390	0.353	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.2990	0.000	1	110.2990	0.000	1	110.8855	0.688	2	110.9390	0.353	3	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CCO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CCO){1|C<4>,1|S<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.7010	0.000	1	110.7010	0.000	1	111.1863	0.610	3	111.7342	0.881	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.7710	0.000	1	110.7710	0.000	1	111.1863	0.610	3	111.7342	0.881	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCO){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]N[5])	112.0870	0.000	1	112.0870	0.000	1	111.1863	0.610	3	111.7342	0.881	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	113.0470	0.000	1	113.0470	0.000	1	112.7250	0.207	2	111.7342	0.881	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NHH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NHH){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.4030	0.000	1	112.4030	0.000	1	112.7250	0.207	2	111.7342	0.881	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	111.7342	0.881	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3,5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH)	H(C[5,5]C[3,5,5]C[5]N[5])	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|N<2>,3|H<1>}	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]N[5])	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH)	H(C[5,5]C[3x5]C[5,5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H){2|O<1>,4|C<3>,5|H<1>}	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[3x5]C[5,5]N[5])	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]N[5])	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.6230	0.148	2	111.6230	0.022	2	112.0057	0.450	3	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	112.7710	0.000	1	112.7710	0.000	1	112.0057	0.450	3	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.7715	0.332	6	110.7715	0.110	6	110.6042	1.113	13	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5894	0.385	5	110.5894	0.148	5	110.6042	1.113	13	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.5490	0.000	1	112.5490	0.000	1	110.6042	1.113	13	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|S<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	107.7300	0.000	1	107.7300	0.000	1	110.6042	1.113	13	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H){1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	111.0383	1.248	21	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,5]C[3x5,6]C[5]N[5])	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	110.5642	3.433	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,7|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	107.2920	0.000	1	107.2920	0.000	1	107.2920	0.000	1	110.5642	3.433	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.1500	0.000	1	110.1500	0.000	1	111.4592	1.053	4	110.5642	3.433	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO){1|C<2>,1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1370	0.000	1	111.1370	0.000	1	111.4592	1.053	4	110.5642	3.433	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.2010	0.000	1	112.2010	0.000	1	111.4592	1.053	4	110.5642	3.433	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5]N[5])	112.3490	0.000	1	112.3490	0.000	1	111.4592	1.053	4	110.5642	3.433	6	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,5]	N[5]	H	5:4:3:1:	4:3:4:	4:	C[5,5,6]-5:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	111.4913	0.779	1403	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,3x6]	H	3:4:4:1:	4:4:3:	4:	N[5,3x6]-3:C[5,5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H)	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)	H(C[5,6,6]N[5,3x6]C[5,5]C[6,6])	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]N[5,3x6]C[5,5]C[6,6])	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	110.1015	0.521	2	110.1015	0.521	2	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,3x6]	H	3:4:4:1:	4:4:3:	4:	N[5,3x6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H)	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.1015	0.521	2	110.1015	0.521	2	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O)	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	111.1780	0.000	1	111.1780	0.000	1	111.2005	0.039	4	111.2005	0.039	4	110.6636	1.470	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	111.2080	0.240	3	111.2080	0.058	3	111.2005	0.039	4	111.2005	0.039	4	110.6636	1.470	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	110.6636	1.470	5	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[5,6]-3:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.5795	0.453	2	109.5795	0.205	2	109.5795	0.205	2	109.5795	0.205	2	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	3:4:4:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H){1|H<1>,3|C<3>,3|O<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	108.6915	1.237	2	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	108.6915	1.237	2	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,9|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	107.7280	1.577	2	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,7|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	107.7280	1.577	2	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]N[5]N[6])(C[5]N[5]C)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]N[5]N[6])(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.6840	0.760	3	109.6840	0.578	3	109.2523	1.131	4	109.4738	0.651	39	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,3|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	107.9570	0.000	1	107.9570	0.000	1	109.2523	1.131	4	109.4738	0.651	39	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.9160	0.000	1	109.4991	0.621	35	109.4991	0.621	35	109.4738	0.651	39	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.9133	1.992	4	109.4991	0.621	35	109.4991	0.621	35	109.4738	0.651	39	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.4300	0.532	30	109.4991	0.621	35	109.4991	0.621	35	109.4738	0.651	39	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,7|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5]O[6])(C[5]C[5]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5]O[6])(C[5]C[5]O){1|C<3>,5|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	107.7105	1.273	2	107.7105	1.622	2	107.7105	1.622	2	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6a]C[5]O[6])(C[5]C[5]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6a]C[5]O[6])(C[5]C[5]O){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	105.5415	0.613	2	105.5415	0.376	2	105.5415	0.376	2	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.2950	0.000	1	110.4153	0.015	3	110.3830	0.061	9	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.4755	0.087	2	110.4153	0.015	3	110.3830	0.061	9	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|S<1>,4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.1150	0.000	1	110.1150	0.000	1	110.3830	0.061	9	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.7490	0.000	1	110.5323	0.039	4	110.3830	0.061	9	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.4760	0.000	1	110.5323	0.039	4	110.3830	0.061	9	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.4520	0.229	2	110.5323	0.039	4	110.3830	0.061	9	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.9570	0.000	1	109.9570	0.000	1	110.3830	0.061	9	109.3845	3.690	15	109.3802	1.431	64	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]N[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	109.5705	0.275	2	110.2970	0.774	10	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H){1|H<1>,2|O<2>,5|C<3>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.5705	0.275	2	110.2970	0.774	10	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH)	H(C[5,6,6]C[5,5,3x6]C[6,6]N[5])	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,3x6]C[6,6]N[5])	112.0560	0.000	1	112.0560	0.000	1	112.0560	0.000	1	110.9926	0.397	5	110.2970	0.774	10	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	110.7268	0.242	4	110.7268	0.058	4	110.7268	0.058	4	110.9926	0.397	5	110.2970	0.774	10	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.6220	0.132	3	110.2970	0.774	10	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.3070	0.000	1	109.3070	0.000	1	109.6630	0.253	2	109.6220	0.132	3	110.2970	0.774	10	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	110.0190	0.000	1	110.0190	0.000	1	109.6630	0.253	2	109.6220	0.132	3	110.2970	0.774	10	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2C)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2C)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	109.2330	0.278	3	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5]	H	3:4:3:1:	4:3:4:	4:	N[5,5]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-3:S[5]-4:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a]OO)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,5]C[6])	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	109.2330	0.278	3	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[6a]C[5]2)(C[5]N[5]O)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[6a]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.2330	0.278	3	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:3:3:1:	4:4:3:	4:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	H(C[5,6]N[5,6,6]C[6,6a]C[5])	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){8|C<3>}	H(C[5,6]N[5,6,6]C[6,6a]C[5])	107.4705	0.220	2	107.4705	0.048	2	107.4705	0.048	2	107.4705	0.048	2	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2)	H(C[5,6]N[5,6,6]C[5,5]C[6])	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	H(C[5,6]N[5,6,6]C[5,5]C[6])	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	110.0875	17.152	2	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	110.0875	17.152	2	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H){3|C<4>,9|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	110.3475	0.209	2	110.3475	0.044	2	109.7362	0.384	5	109.4548	1.437	8	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	108.9940	0.000	1	109.3287	0.124	3	109.7362	0.384	5	109.4548	1.437	8	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	109.6960	0.000	1	109.3287	0.124	3	109.7362	0.384	5	109.4548	1.437	8	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	109.2960	0.000	1	109.3287	0.124	3	109.7362	0.384	5	109.4548	1.437	8	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2){1|C<3>,2|C<4>,9|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	109.4548	1.437	8	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	N[5,6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5])	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){2|C<4>,3|C<3>}	N[5,6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]){2|C<4>,3|C<3>,8|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	109.4548	1.437	8	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2){1|C<3>,2|C<4>,9|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	109.4548	1.437	8	109.2262	2.944	13	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:2:4:1:	4:3:4:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,2|C<4>}	H(C[5,6]N[5,6]C[5]O[6])	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:2:4:1:	4:4:3:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){4|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]O[6])	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	110.1845	0.883	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:2:4:1:	4:4:3:	4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	H(C[5,6]N[5,6]C[5]S[6])	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]N[5,6]C[5]S[6])	110.8490	0.000	1	110.8490	0.000	1	110.8490	0.000	1	110.1845	0.883	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:S[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]N[5,6]C[6]S[5])	108.2925	0.960	2	108.2925	0.921	2	108.2925	0.921	2	108.2925	0.921	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	109.7440	1.723	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]N[5,6]N[6])	110.1130	0.000	1	110.1130	0.000	1	109.9295	0.067	2	109.7440	1.723	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|H<1>,2|O<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]N[5,6]N[6])	109.7460	0.000	1	109.7460	0.000	1	109.9295	0.067	2	109.7440	1.723	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5])	H(C[5,6]C[5a,6]N[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|S<4>,5|C<3>}	H(C[5,6]C[5a,6]N[5,6]N[5])	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	109.7440	1.723	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.2690	0.000	1	109.2690	0.000	1	109.2690	0.000	1	109.2690	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[5,6]C[5,6a]C[5a,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5a,6]N[5,6])	110.4085	0.066	2	110.4085	0.004	2	110.4085	0.004	2	110.4097	0.002	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6a]N[5,6]N[6])	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4097	0.002	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:S[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]N[6]O)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]N[6]O){1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.8150	0.001	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:S[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H)	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[6,6a]N[5,6]S[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]S[5])	108.8350	0.000	2	108.8350	0.000	2	108.8350	0.000	2	108.8150	0.001	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.9960	0.000	1	109.9960	0.000	1	109.9960	0.000	1	109.7243	0.056	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){4|C<3>,5|H<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.6210	0.000	1	109.6210	0.000	1	109.5885	0.002	2	109.7243	0.056	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.5560	0.000	1	109.5560	0.000	1	109.5885	0.002	2	109.7243	0.056	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	109.5012	0.399	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	109.7540	0.003	2	109.7540	0.000	2	109.7540	0.000	2	109.5012	0.399	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:Si[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC)	H(C[5,6]N[5,6]Si[6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H){1|N<3>,2|C<3>,2|H<1>,5|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]N[5,6]Si[6]C[5])	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	109.5012	0.399	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]O)(N[5]C[5])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]O)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|C<4>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.2850	0.000	1	108.2177	0.253	3	108.2177	0.253	3	108.2020	1.063	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.1840	0.707	2	108.2177	0.253	3	108.2177	0.253	3	108.2020	1.063	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.9620	0.000	1	108.9620	0.000	1	108.9060	0.006	2	108.2020	1.063	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.8500	0.000	1	108.8500	0.000	1	108.9060	0.006	2	108.2020	1.063	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	108.2020	1.063	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	108.2020	1.063	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	110.0220	0.000	2	110.0220	0.000	2	109.9640	0.010	3	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.8480	0.000	1	109.8480	0.000	1	109.9640	0.010	3	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7065	1.391	2	109.1515	1.140	4	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5965	0.503	2	109.1515	1.140	4	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2070	0.110	2	108.3437	2.081	6	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9120	1.649	4	108.3437	2.081	6	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0860	0.000	1	109.0660	0.792	3	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.4470	0.000	1	109.0660	0.792	3	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6650	0.000	1	109.0660	0.792	3	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8700	0.000	1	109.9935	0.031	2	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1170	0.000	1	109.9935	0.031	2	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.2950	0.000	1	108.2950	0.000	1	108.8842	1.359	16	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6]N[5,6]2C[5])	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]2C[5])	111.4230	0.000	1	111.4230	0.000	1	111.4230	0.000	1	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	107.1280	0.000	1	107.1280	0.000	1	108.5677	1.630	3	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	109.2875	0.390	2	109.2875	0.152	2	108.5677	1.630	3	109.0942	1.495	23	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6]){3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.7020	0.010	2	109.7020	0.000	2	109.7020	0.000	2	110.0332	0.100	5	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.1805	0.047	2	110.1805	0.002	2	110.2540	0.017	3	110.0332	0.100	5	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.4010	0.000	1	110.4010	0.000	1	110.2540	0.017	3	110.0332	0.100	5	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S){3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.3115	0.490	2	109.3115	0.240	2	109.3115	0.240	2	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	110.3970	0.000	1	110.3970	0.000	1	110.0335	0.264	2	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.6700	0.000	1	109.6700	0.000	1	110.0335	0.264	2	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.2220	0.320	3	109.2220	0.103	3	109.4392	0.074	12	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.5116	0.228	9	109.5116	0.052	9	109.4392	0.074	12	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6380	0.000	1	107.6380	0.000	1	108.5610	1.704	2	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.4840	0.000	1	109.4840	0.000	1	108.5610	1.704	2	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O){4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.6040	0.000	1	109.6040	0.000	1	109.3167	0.233	3	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.7590	0.000	1	108.7590	0.000	1	109.3167	0.233	3	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.5870	0.000	1	109.5870	0.000	1	109.3167	0.233	3	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:S[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(S[6]O[6]OO)(C[5]N[5]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(S[6]O[6]OO)(C[5]N[5]H){1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.1380	0.574	4	108.3003	0.320	6	108.3378	0.248	9	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.6250	0.544	2	108.3003	0.320	6	108.3378	0.248	9	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.8330	0.000	1	108.8330	0.000	1	108.3378	0.248	9	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.2025	0.305	2	108.2025	0.093	2	108.3378	0.248	9	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6000	0.000	1	108.6000	0.000	1	108.8638	0.084	5	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.1780	0.000	1	109.1780	0.000	1	108.8638	0.084	5	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0105	0.074	2	109.0105	0.006	2	108.8638	0.084	5	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5200	0.000	1	108.5200	0.000	1	108.8638	0.084	5	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0030	0.048	2	109.7583	1.713	3	109.5078	0.978	5	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2690	0.000	1	109.7583	1.713	3	109.5078	0.978	5	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1320	0.132	2	109.1320	0.017	2	109.5078	0.978	5	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	109.1483	0.542	42	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]O[6])	111.0630	0.204	2	111.0630	0.041	2	111.0630	0.041	2	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	110.5360	0.000	1	110.5360	0.000	1	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	108.7850	0.000	2	108.7850	0.000	2	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.3690	0.061	2	109.3690	0.004	2	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.6290	0.272	2	109.5365	0.023	6	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.4365	0.050	2	109.5365	0.023	6	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.5440	0.000	2	109.5365	0.023	6	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	110.0830	0.000	1	110.0830	0.000	1	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.2490	0.000	1	109.8025	0.613	2	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	110.3560	0.000	1	109.8025	0.613	2	109.5536	0.258	14	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[6]S[5])	108.7310	0.000	1	108.2340	0.214	3	108.2340	0.214	3	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[6]S[5])	107.8170	0.000	1	108.2340	0.214	3	108.2340	0.214	3	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[6]S[5])	108.1540	0.000	1	108.2340	0.214	3	108.2340	0.214	3	109.5042	0.753	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.7160	1.220	2	105.7160	1.490	2	105.7160	1.490	2	107.5670	2.799	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){4|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6405	0.204	2	108.6405	0.042	2	108.6405	0.042	2	107.5670	2.799	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4515	0.050	2	107.4515	0.003	2	107.4515	0.003	2	107.5670	2.799	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O){4|C<3>,5|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	107.5670	2.799	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C)	H(C[5,6]N[5,6]C[6]N[5])	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	H(C[5,6]N[5,6]C[6]N[5])	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	107.5670	2.799	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5,6]-4:Si[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC)	H(C[5,6]C[5,6]N[5,6]Si[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H){1|N<3>,2|C<3>,6|H<1>,7|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]Si[6])	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	109.0408	1.377	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H){4|H<1>,7|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	109.0408	1.377	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H){1|N<3>,5|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	109.7430	0.151	2	109.7430	0.023	2	109.7430	0.023	2	109.0408	1.377	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]C[6])(N[5]C[5])	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]C[6])(N[5]C[5]){1|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	108.1255	0.569	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:2:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]S)(N[5]C[5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]S)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.1255	0.569	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	110.1513	0.113	3	110.0457	0.053	4	110.0457	0.053	4	110.1388	1.245	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	109.7290	0.000	1	110.0457	0.053	4	110.0457	0.053	4	110.1388	1.245	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	110.1388	1.245	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]N[5])	111.0560	0.000	1	111.0560	0.000	1	111.2655	0.088	2	110.1388	1.245	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5]O)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5]O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]N[5])	111.4750	0.000	1	111.4750	0.000	1	111.2655	0.088	2	110.1388	1.245	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]N)(N[6]C[6]H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]N)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.1388	1.245	8	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[5,6]C[5a,6]C[5,6]N[5,6])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5,6])	108.5040	0.000	1	108.5040	0.000	1	109.4590	0.718	3	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[5,6]C[5a,6]C[5,6]N[5,6])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5,6])	109.9365	0.261	2	109.9365	0.068	2	109.4590	0.718	3	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.8823	0.739	3	108.8160	0.382	4	109.0997	0.376	7	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.6170	0.000	1	108.8160	0.382	4	109.0997	0.376	7	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.8140	0.000	1	109.8140	0.000	1	109.0997	0.376	7	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.3100	0.434	2	109.3100	0.188	2	109.0997	0.376	7	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	107.4580	0.000	1	107.4580	0.000	1	107.1755	0.160	2	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.8930	0.000	1	106.8930	0.000	1	107.1755	0.160	2	108.8688	1.000	12	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O)	H(C[5,6]C[5,6a]C[6,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,4|C<3>,7|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[6,6]N[5,6])	106.9400	0.000	2	106.9400	0.000	2	106.9400	0.000	2	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H){2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.3115	0.185	2	108.3115	0.034	2	108.3115	0.034	2	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0950	0.320	2	109.0950	0.102	2	109.2074	0.811	13	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4543	1.716	4	109.2357	1.335	8	109.2074	0.811	13	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8875	0.073	2	109.2357	1.335	8	109.2074	0.811	13	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1470	0.243	2	109.2357	1.335	8	109.2074	0.811	13	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8010	0.000	1	109.2067	0.125	3	109.2074	0.811	13	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4095	0.064	2	109.2067	0.125	3	109.2074	0.811	13	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.3155	1.318	4	105.3155	1.738	4	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5880	0.000	1	108.2308	4.096	12	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1990	0.000	1	108.2308	4.096	12	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	102.2910	0.000	1	108.2308	4.096	12	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7842	0.364	5	108.2308	4.096	12	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<1>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.3900	0.000	1	108.2308	4.096	12	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1267	0.988	3	108.2308	4.096	12	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7270	0.000	1	108.7270	0.000	1	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.3180	0.000	1	107.3180	0.000	1	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5660	0.000	1	110.5660	0.000	1	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5667	0.800	4	108.5667	0.640	4	107.8656	4.096	23	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4325	0.326	2	110.4325	0.106	2	110.4325	0.106	2	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.4065	2.915	45	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){2|C<3>,8|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	105.2280	0.000	1	105.2280	0.000	1	106.6810	2.059	3	109.3916	2.699	15	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.7180	0.000	1	106.7180	0.000	1	106.6810	2.059	3	109.3916	2.699	15	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0970	0.000	1	108.0970	0.000	1	106.6810	2.059	3	109.3916	2.699	15	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8150	0.000	1	109.8150	0.000	1	110.1699	0.478	11	109.3916	2.699	15	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.3330	0.000	1	108.3330	0.000	1	110.1699	0.478	11	109.3916	2.699	15	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4134	0.306	9	110.4134	0.094	9	110.1699	0.478	11	109.3916	2.699	15	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	109.3916	2.699	15	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	111.6180	0.000	1	110.1595	4.254	2	110.1595	4.254	2	108.8896	1.592	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.7010	0.000	1	110.1595	4.254	2	110.1595	4.254	2	108.8896	1.592	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	108.8896	1.592	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.6780	0.000	1	108.3220	0.095	3	108.3220	0.095	3	108.8896	1.592	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|C<3>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.1260	0.000	1	108.3220	0.095	3	108.3220	0.095	3	108.8896	1.592	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){4|C<3>,8|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.1620	0.000	1	108.3220	0.095	3	108.3220	0.095	3	108.8896	1.592	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	108.8896	1.592	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:2:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5])	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5]){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,3|C<3>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	109.5040	4.518	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0010	0.000	1	108.0010	0.000	1	108.0010	0.000	1	109.5040	4.518	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5633	0.459	3	108.6482	0.233	5	108.6778	0.192	6	108.7943	0.351	10	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7755	0.675	2	108.6482	0.233	5	108.6778	0.192	6	108.7943	0.351	10	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8260	0.000	1	108.8260	0.000	1	108.6778	0.192	6	108.7943	0.351	10	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1900	0.000	1	108.5190	0.900	2	108.9690	0.666	4	108.7943	0.351	10	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.8480	0.000	1	108.5190	0.900	2	108.9690	0.666	4	108.7943	0.351	10	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0390	0.000	1	109.0390	0.000	1	108.9690	0.666	4	108.7943	0.351	10	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7990	0.000	1	109.7990	0.000	1	108.9690	0.666	4	108.7943	0.351	10	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	110.1475	0.395	2	110.1475	0.156	2	109.6698	0.933	11	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	110.5300	0.397	2	110.5300	0.158	2	109.6698	0.933	11	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.8635	0.929	4	109.8635	0.862	4	109.6698	0.933	11	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.0310	0.000	1	108.5197	0.190	3	109.6698	0.933	11	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.7640	0.146	2	108.5197	0.190	3	109.6698	0.933	11	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCO){3|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0600	0.000	1	111.0600	0.000	1	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.6020	0.076	2	111.6020	0.006	2	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|F<1>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.1620	0.000	1	112.1620	0.000	1	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CC[6a]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CC[6a]O){1|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.8300	0.000	1	111.8300	0.000	1	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|F<1>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2800	0.000	1	111.2800	0.000	1	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.5510	0.000	1	111.5510	0.000	1	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.3055	0.226	2	112.3055	0.051	2	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.6180	0.000	1	111.6180	0.000	1	111.7316	0.183	10	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0730	0.438	2	109.0730	0.192	2	109.0730	0.192	2	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4750	0.000	1	107.4750	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.9880	0.000	1	108.4740	0.528	2	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9600	0.000	1	108.4740	0.528	2	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4450	0.000	1	107.4450	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6100	0.000	1	108.6100	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6720	0.246	2	108.6720	0.061	2	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.2220	0.000	1	108.2220	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.9146	0.450	7	106.9146	0.202	7	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O){2|C<4>,2|O<2>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8040	0.000	1	108.8040	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9880	0.000	1	107.9880	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6410	0.000	1	109.6410	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5390	0.000	1	108.5390	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5365	0.180	2	109.5365	0.033	2	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7430	0.000	1	108.7430	0.000	1	108.0561	1.013	22	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8640	0.000	1	109.8255	0.003	2	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7870	0.000	1	109.8255	0.003	2	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4300	0.000	1	109.4300	0.000	1	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4500	0.683	2	107.4500	0.467	2	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2037	0.387	3	109.1308	0.121	4	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.9120	0.000	1	109.1308	0.121	4	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N){3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2500	0.000	1	109.2500	0.000	1	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir){2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7610	0.000	1	109.7610	0.000	1	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Rh)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Rh<6>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Rh){2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8220	0.000	1	109.8220	0.000	1	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	116.6310	0.000	1	116.6310	0.000	1	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0690	0.000	1	110.0690	0.000	1	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9110	0.000	1	109.9110	0.000	1	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4750	0.000	1	110.2407	0.111	3	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1235	0.374	2	110.2407	0.111	3	109.8150	3.627	18	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:B[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.4990	1.549	2	106.4990	2.398	2	106.4990	2.398	2	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.6105	0.098	2	111.6105	0.010	2	111.6105	0.010	2	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6590	0.000	1	109.6590	0.000	1	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1705	0.228	2	110.0213	0.093	3	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7230	0.000	1	110.0213	0.093	3	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4077	0.371	3	109.4077	0.138	3	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.3920	0.000	1	110.3920	0.000	1	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6478	0.201	4	108.6562	0.031	5	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,1|S<2>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6900	0.000	1	108.6562	0.031	5	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1290	0.193	3	109.1290	0.037	3	109.3129	0.382	16	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:S[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|O<1>,4|H<1>}	H(C[5,6]N[5,6]C[6]S[5])	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	109.3692	2.758	86	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	5:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	Ga[5,6,6]-5:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.6820	0.594	2	107.6820	0.353	2	107.6820	0.353	2	107.4690	0.125	6	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	5:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	In[5,6,6]-5:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.3625	0.215	4	107.3625	0.046	4	107.3625	0.046	4	107.4690	0.125	6	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	3:4:4:1:	6:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	In[5,5,6,6]-6:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,5|H<1>}	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){3|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.7430	0.294	4	107.7430	0.087	4	107.7430	0.087	4	107.7430	0.087	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,5|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	110.5140	1.370	2	110.5140	1.878	2	111.6194	0.371	14	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCO){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.8040	0.081	2	111.8040	0.006	2	111.6194	0.371	14	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.8844	0.033	5	111.8524	0.004	7	111.6194	0.371	14	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.7725	0.021	2	111.8524	0.004	7	111.6194	0.371	14	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.6893	0.038	3	111.6893	0.001	3	111.6194	0.371	14	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	109.5980	1.686	2	109.5980	2.842	2	110.6053	2.300	4	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.6125	0.036	2	111.6125	0.001	2	110.6053	2.300	4	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2{2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]N[5,6]H)	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	111.3847	0.830	19	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:2:1:	4:4:3:	4:	C[3x5,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H)	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O)	H(C[5,6]C[3x5,6]N[5,6]O[6])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[3x5,6]N[5,6]O[6])	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	109.7875	0.213	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H)	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]C[5,6]N[5,6]S[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H){1|B<3>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]S[5])	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	109.7875	0.213	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:2:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6]N[5,6]O[5])	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5])	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H){2|N<2>,7|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5]){1|H<1>,8|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	109.4470	2.051	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]N[5])	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	109.4470	2.051	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]N[6])	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	109.4470	2.051	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){3|H<1>,6|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.7280	0.419	2	108.7280	0.175	2	108.7280	0.175	2	109.1480	0.617	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]N[6])	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	109.1480	0.617	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)	H(C[5,6]C[5,5,6]N[5,6]N[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]N[5,6]N[5])	109.2933	0.061	3	109.2933	0.004	3	109.2933	0.004	3	109.2933	0.004	3	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH)	H(C[5,6]C[3x5,6]C[5a,6]N[5,6])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[3x5,6]C[5a,6]N[5,6])	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.1164	0.247	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.9780	0.840	2	108.9780	0.706	2	109.0440	0.252	6	109.1164	0.247	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.2480	0.242	2	109.2480	0.058	2	109.0440	0.252	6	109.1164	0.247	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]Ir)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]Ir)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.9060	0.605	2	108.9060	0.366	2	109.0440	0.252	6	109.1164	0.247	7	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O)	H(C[5,6]C[5,5,6]N[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C[6])	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.8372	0.385	5	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	108.8372	0.385	5	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.5685	1.115	2	108.5685	1.243	2	108.6797	0.659	3	108.8372	0.385	5	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.9020	0.000	1	108.9020	0.000	1	108.6797	0.659	3	108.8372	0.385	5	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:2:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5])	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5]){1|Br<1>,1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.2950	0.508	2	109.2950	0.258	2	109.2950	0.258	2	109.2950	0.258	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	107.4050	0.000	1	107.4050	0.000	1	108.7170	0.499	12	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.3500	0.000	2	109.3500	0.000	2	108.7170	0.499	12	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.6647	0.426	4	108.6563	0.530	6	108.7170	0.499	12	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.6395	1.450	2	108.6563	0.530	6	108.7170	0.499	12	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.2070	0.000	1	109.2070	0.000	1	108.7170	0.499	12	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.8400	0.000	1	108.6770	0.053	2	108.7170	0.499	12	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.5140	0.000	1	108.6770	0.053	2	108.7170	0.499	12	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	108.6322	0.551	13	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:3:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.7230	0.334	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]Rh)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<6>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]Rh)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.0795	0.685	2	109.0795	0.469	2	109.0795	0.469	2	108.7230	0.334	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	108.7230	0.334	4	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[3,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5,6]C[3,5,6]N[5,6]C[6])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]N[5,6]C[6])	109.3655	1.105	2	109.3655	1.221	2	109.3655	1.221	2	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.0420	0.000	1	107.6797	0.960	3	107.6343	0.648	4	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.1890	0.000	1	107.6797	0.960	3	107.6343	0.648	4	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.8080	0.000	1	107.6797	0.960	3	107.6343	0.648	4	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,7|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.4980	0.000	1	107.4980	0.000	1	107.6343	0.648	4	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	H(C[5,6]C[5,6,6]N[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]N[5,6]C[6])	110.4730	0.000	1	110.4730	0.000	1	110.1230	0.245	2	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	H(C[5,6]C[5,6,6]N[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]N[5,6]C[6])	109.7730	0.000	1	109.7730	0.000	1	110.1230	0.245	2	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	112.3900	4.872	2	112.3900	23.736	2	110.5065	12.643	4	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O){1|N<2>,1|N<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.6230	0.047	2	108.6230	0.002	2	110.5065	12.643	4	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.1140	0.165	2	112.1140	0.027	2	112.1140	0.027	2	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	109.7332	0.359	4	109.7332	0.129	4	109.7332	0.129	4	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1790	0.037	2	110.1790	0.001	2	109.8897	0.252	3	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.3110	0.000	1	109.3110	0.000	1	109.8897	0.252	3	109.6898	3.575	22	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O)	H(C[5,6]C[5,5,6]C[5,6]N[5,6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[5,6])	108.9850	0.290	2	108.9850	0.084	2	108.9850	0.084	2	108.9850	0.084	2	109.1939	2.087	420	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:2:4:1:	4:3:3:	4:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	H(C[5,6]O[5,6]C[6]N[5])	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[6]N[5])	111.3960	0.025	2	111.3960	0.001	2	111.3960	0.001	2	111.3960	0.001	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)	H(C[5,6]C[6,6a]O[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]O[5,6]N[5])	111.2650	0.000	1	111.2650	0.000	1	112.2015	1.754	2	112.2015	1.754	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2)	H(C[5,6]C[6,6a]O[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]O[5,6]N[5])	113.1380	0.000	1	113.1380	0.000	1	112.2015	1.754	2	112.2015	1.754	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:3:1:	4:3:1:	4:	N[5,5,6]-3:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	N[5](C[5,6]N[5,5,6]C[6,6a]H)(C[5]C[5,5]C[5])(H)	H(C[5,6]N[5,5,6]C[6,6a]N[5])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]N[5,5,6]C[6,6a]H)(C[5]C[5,5]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]N[5,5,6]C[6,6a]N[5])	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	107.8710	3.308	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO){4|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	107.8710	3.308	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:S-4:N[5]-2:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H)	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5])	H(C[5,6]C[5a,6]N[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H){1|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5]){1|N<3>,3|C<3>}	H(C[5,6]C[5a,6]N[5,6]N[5])	111.2630	0.000	1	111.2630	0.000	1	111.2630	0.000	1	111.2630	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:4:1:	3:4:3:	4:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH)	H(C[5,6]N[5,6]C[6]N[5])	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	H(C[5,6]N[5,6]C[6]N[5])	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CC[6]O)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CC[6]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.5095	0.648	2	109.5095	0.420	2	109.5095	0.420	2	109.0835	0.394	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.6575	0.187	2	108.6575	0.035	2	108.6575	0.035	2	109.0835	0.394	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8580	0.071	2	109.2092	0.571	4	109.2092	0.571	4	109.2092	0.571	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.5605	0.155	2	109.2092	0.571	4	109.2092	0.571	4	109.2092	0.571	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.1552	1.830	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.5450	0.000	1	110.5450	0.000	1	110.5450	0.000	1	109.1552	1.830	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(COO){3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	109.1552	1.830	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	107.8215	0.045	2	107.8215	0.002	2	107.8215	0.002	2	109.1552	1.830	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7970	0.000	1	108.7970	0.000	1	108.6720	0.031	2	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5470	0.000	1	108.5470	0.000	1	108.6720	0.031	2	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2390	0.000	1	109.2390	0.000	1	109.1830	0.289	5	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.2900	0.000	1	109.0160	1.054	2	109.1830	0.289	5	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7420	0.000	1	109.0160	1.054	2	109.1830	0.289	5	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3220	0.078	2	109.3220	0.006	2	109.1830	0.289	5	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2342	0.950	6	109.2342	0.903	6	109.3180	0.680	8	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7670	0.000	1	109.7670	0.000	1	109.3180	0.680	8	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3720	0.000	1	109.3720	0.000	1	109.3180	0.680	8	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]N[5,6]N[5])	111.6000	0.000	1	111.6000	0.000	1	111.3005	0.179	2	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]N[5,6]N[5])	111.0010	0.000	1	111.0010	0.000	1	111.3005	0.179	2	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH)	H(C[5,6]N[5,6]C[6]N[5])	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH){1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]N[5])	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	109.5457	1.112	19	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2){1|C<4>,2|O<2>,2|O<3>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4270	0.000	2	109.4270	0.000	2	109.6570	0.159	3	109.6570	0.159	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.1170	0.000	1	110.1170	0.000	1	109.6570	0.159	3	109.6570	0.159	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(SCOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(SCOO){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	109.2790	1.667	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	109.2790	1.667	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:2:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.5850	0.311	2	110.5850	0.097	2	110.5850	0.097	2	110.5850	0.097	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:2:3:1:	4:4:3:	4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	111.7485	0.104	2	111.7485	0.011	2	111.7485	0.011	2	111.7485	0.011	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]N[5]O[6])	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]N[5]O[6])	111.1520	0.000	1	111.1520	0.000	1	110.7697	4.471	3	110.8655	3.018	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]N[5]O[6])	110.5785	2.954	2	110.5785	8.724	2	110.7697	4.471	3	110.8655	3.018	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	111.1530	0.000	1	111.1530	0.000	1	111.1530	0.000	1	110.8655	3.018	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]N[5]O[6])	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	110.6067	3.189	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(H)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	110.2460	2.366	2	110.2460	5.598	2	110.2460	5.598	2	110.6067	3.189	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,5,6]N[5]O[6])	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)(CC[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	111.8273	2.414	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:S[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H)	N[5](C[5,6]C[5,6]O[6]H)(S[5]O[5]OO)(COO)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H){1|C<4>,2|O<1>,4|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(S[5]O[5]OO)(COO){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]N[5]O[6])	110.9320	0.133	2	110.9320	0.018	2	110.9320	0.018	2	111.8273	2.414	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]2N[5])	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.2807	1.242	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	109.2807	1.242	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	109.2807	1.242	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.3125	0.042	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.3125	0.042	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:N[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H)	N[5](C[5,6]C[5,5,6]N[5a,6]H)(C[5]N[5]S)(H)	H(C[5,6]C[5,5,6]N[5a,6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H){1|Br<1>,1|H<1>,1|S<2>,3|C<3>,3|C<4>}	N[5](C[5,6]C[5,5,6]N[5a,6]H)(C[5]N[5]S)(H){1|C<4>,1|N<3>,2|C<3>}	H(C[5,6]C[5,5,6]N[5a,6]N[5])	111.5380	0.000	2	111.5380	0.000	2	111.5380	0.000	2	111.2013	0.340	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	111.2013	0.340	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH)	H(C[5,6]C[3,5,5,6]C[6]N[5])	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[3,5,5,6]C[6]N[5])	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[6,6a]N[5])	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[6,6a]N[5])	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	H(C[5,6]C[5,5,6]N[5,6]N[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]N[5,6]N[5])	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(SC[6a]OO)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5,6,6]N[5]N[6])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]N[5]N[6])	108.8770	0.576	2	108.8770	0.331	2	108.8770	0.331	2	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH){1|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]N[5])	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]N[5]N[6])	108.4480	0.000	1	108.4480	0.000	1	108.6280	0.079	3	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	108.7180	0.331	2	108.7180	0.110	2	108.6280	0.079	3	109.4408	0.758	15	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	111.3850	2.094	3	111.3850	4.384	3	111.3850	4.384	3	110.9977	2.054	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	110.9977	2.054	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.6620	0.000	1	110.6620	0.000	1	110.6620	0.000	1	110.9977	2.054	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	110.9977	2.054	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1720	0.000	1	110.4905	0.066	4	110.3907	0.065	6	109.9646	1.325	7	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.6940	0.085	2	110.4905	0.066	4	110.3907	0.065	6	109.9646	1.325	7	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4020	0.000	1	110.4905	0.066	4	110.3907	0.065	6	109.9646	1.325	7	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1370	0.000	1	110.1370	0.000	1	110.3907	0.065	6	109.9646	1.325	7	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2450	0.000	1	110.2450	0.000	1	110.3907	0.065	6	109.9646	1.325	7	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	109.9646	1.325	7	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	108.1210	0.000	1	108.1210	0.000	1	108.2460	0.221	3	108.6623	0.840	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	107.8510	0.000	1	107.8510	0.000	1	108.2460	0.221	3	108.6623	0.840	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.7660	0.000	1	108.7660	0.000	1	108.2460	0.221	3	108.6623	0.840	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	108.6623	0.840	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.7950	0.000	1	109.6797	0.018	3	109.6797	0.018	3	109.6797	0.018	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.6220	0.130	2	109.6797	0.018	3	109.6797	0.018	3	109.6797	0.018	3	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	110.0122	3.077	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	110.0122	3.077	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0640	0.000	1	109.0555	0.000	2	109.7237	1.339	3	110.0122	3.077	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0470	0.000	1	109.0555	0.000	2	109.7237	1.339	3	110.0122	3.077	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.0600	0.000	1	111.0600	0.000	1	109.7237	1.339	3	110.0122	3.077	5	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.2170	0.000	1	108.2170	0.000	1	108.9887	1.656	4	108.9887	1.656	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.4125	0.077	2	108.4125	0.006	2	108.9887	1.656	4	108.9887	1.656	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.9130	0.000	1	110.9130	0.000	1	108.9887	1.656	4	108.9887	1.656	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)2(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)2(CCO){4|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0355	0.185	2	109.0355	0.034	2	109.0355	0.034	2	109.0355	0.034	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	3:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.7150	0.000	2	108.7150	0.000	2	108.7150	0.000	2	108.7150	0.000	2	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,6])(CC[6a]O)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,6])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[6]N[5])	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H){2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.7060	0.000	1	111.7060	0.000	1	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3350	0.000	1	108.3350	0.000	1	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6260	0.000	1	108.6260	0.000	1	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.7190	0.000	1	111.7190	0.000	1	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2278	1.247	16	108.3458	1.152	24	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){1|Ir<8>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4990	0.893	4	108.3458	1.152	24	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){1|Rh<8>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6650	0.099	4	108.3458	1.152	24	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0595	0.421	4	108.0595	0.178	4	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|N<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2230	0.113	2	108.2230	0.013	2	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8930	0.000	1	109.9545	0.008	2	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0160	0.000	1	109.9545	0.008	2	108.5911	1.519	36	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.6501	1.571	38	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(OC)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(OC){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.8530	0.000	1	111.8530	0.000	1	110.1292	3.468	5	109.3708	6.225	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){1|Br<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0040	0.000	1	110.0040	0.000	1	110.1292	3.468	5	109.3708	6.225	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.9670	0.000	1	111.9670	0.000	1	110.1292	3.468	5	109.3708	6.225	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.5160	0.000	1	107.5160	0.000	1	110.1292	3.468	5	109.3708	6.225	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3060	0.000	1	109.3060	0.000	1	110.1292	3.468	5	109.3708	6.225	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	105.5790	0.000	1	105.5790	0.000	1	105.5790	0.000	1	109.3708	6.225	6	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH)	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	110.6035	0.319	2	110.6035	0.102	2	110.6035	0.102	2	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(C[5,6]C[5,5,6]C[5,6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[5])	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.8840	0.000	1	107.8840	0.000	1	109.0650	1.261	3	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.1920	0.000	1	109.1920	0.000	1	109.0650	1.261	3	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.1190	0.000	1	110.1190	0.000	1	109.0650	1.261	3	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH){3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	110.2725	0.329	4	110.2725	0.108	4	110.1846	0.120	5	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.8330	0.000	1	109.8330	0.000	1	110.1846	0.120	5	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2N[5])	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8475	0.152	2	109.8475	0.023	2	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3025	0.326	4	108.3025	0.106	4	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6080	0.061	2	107.4458	7.038	4	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	103.4810	0.000	1	107.4458	7.038	4	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.0860	0.000	1	107.4458	7.038	4	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1460	0.000	1	110.1460	0.000	1	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|W<7>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.4245	0.074	2	108.4245	0.006	2	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7000	0.000	1	108.7000	0.000	1	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6365	0.066	2	109.6365	0.004	2	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.4350	0.000	1	107.4350	0.000	1	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8767	1.008	18	108.8767	1.016	18	108.7106	1.601	35	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SCOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SCOO){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7490	0.000	1	109.7490	0.000	1	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.3440	0.305	2	110.3967	0.112	6	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4670	0.000	1	110.3967	0.112	6	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,4|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.6275	0.412	2	110.3967	0.112	6	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9700	0.000	1	110.3967	0.112	6	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.3330	0.000	1	111.3330	0.000	1	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]N)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<2>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]N)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0410	0.000	1	110.0410	0.000	1	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]S)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<1>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]S)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	104.8820	0.000	1	104.8820	0.000	1	109.8385	3.253	10	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO){1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	109.1177	1.962	58	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C-4:N[5]-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H)	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5])	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[4,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H)	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO)	H(C[5,6]C[4,6]C[5,6]N[5])	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]N[5])	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,6]C[5,5,6]C[5,6]N[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,7|H<1>}	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[5])	105.2040	0.000	1	105.2040	0.000	1	105.2040	0.000	1	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6,6]C[5,6]N[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,9|H<1>}	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]N[5])	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9650	0.000	1	108.6883	0.057	3	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5500	0.000	2	108.6883	0.057	3	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO){1|I<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.8040	0.000	1	111.8040	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6660	0.000	1	108.7530	1.667	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.8400	0.000	1	108.7530	1.667	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.6140	0.000	1	110.0473	0.086	6	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9340	0.105	5	110.0473	0.086	6	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|Cl<1>,1|C<3>,1|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2810	0.000	1	110.2810	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7210	0.000	1	109.7210	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8310	0.000	1	108.4145	0.347	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,8|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.9980	0.000	1	108.4145	0.347	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8165	0.040	2	108.8165	0.002	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6710	0.000	1	109.6710	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H){3|C<3>,8|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5300	0.000	1	109.5300	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]O){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.3805	0.084	2	110.3805	0.007	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6330	0.000	1	109.2570	0.283	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8810	0.000	1	109.2570	0.283	2	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3290	0.000	1	109.3290	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7100	0.000	1	108.7100	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.2160	0.000	1	107.2160	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|H<1>,2|O<2>,3|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.1700	0.000	1	109.1700	0.000	1	109.3937	0.902	28	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.4253	1.752	32	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6100	0.000	1	108.6100	0.000	1	108.2435	0.218	4	108.2435	0.218	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.8790	0.352	2	107.8790	0.124	2	108.2435	0.218	4	108.2435	0.218	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6060	0.000	1	108.6060	0.000	1	108.2435	0.218	4	108.2435	0.218	4	109.4397	2.052	264	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-3:C-4:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]N[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	H(C[5]N[5,5,6]C[5]C)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]N[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,5,6]C[5]C)	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	109.0270	0.179	2	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[6a]C[5]H)	H(C[5]N[5,5,6]C[6a]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[6a]C[5]H){1|S<2>,2|H<1>,5|C<3>}	H(C[5]N[5,5,6]C[6a]C[5])	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	109.0270	0.179	2	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,5,6]C[5]H)	110.7417	0.047	4	110.7417	0.002	4	110.7433	0.005	10	110.7433	0.005	10	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,5,6]C[5]H)	110.8055	0.006	2	110.7443	0.007	6	110.7433	0.005	10	110.7433	0.005	10	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,5,6]C[5]H)	110.6345	0.011	2	110.7443	0.007	6	110.7433	0.005	10	110.7433	0.005	10	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|S<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5,6]C[5]H)	110.7930	0.023	2	110.7443	0.007	6	110.7433	0.005	10	110.7433	0.005	10	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	H(C[5]N[5,5,6]C[5]C)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,5,6]C[5]C)	108.6870	0.338	2	108.6870	0.114	2	108.5027	0.159	3	108.5027	0.159	3	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	H(C[5]N[5,5,6]C[5]C)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|S<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5,6]C[5]C)	108.1340	0.000	1	108.1340	0.000	1	108.5027	0.159	3	108.5027	0.159	3	110.0663	1.044	15	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:1:1:	3:4:3:	4:	N[5,5]-3:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C)	H(C[5]N[5,5]O[5]H)	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2{1|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5,5]O[5]H)	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:3:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5]O[5]C)	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	106.7295	1.240	2	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:3:4:	4:	N[5,5]-3:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]S[5]CH)	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]S[5]CH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5]S[5]C)	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	106.7295	1.240	2	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5]N[5,5]O[5]C)	108.3050	0.000	1	107.4030	0.863	9	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	H(C[5]N[5,5]O[5]C)	106.0030	0.000	1	107.4030	0.863	9	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	H(C[5]N[5,5]O[5]C)	107.7630	0.000	1	107.4030	0.863	9	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5]O[5]C)	107.8000	1.349	2	107.4030	0.863	9	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]O[5]C)	107.7440	0.000	1	107.4030	0.863	9	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	H(C[5]N[5,5]O[5]C)	107.4370	0.782	2	107.4030	0.863	9	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	H(C[5]N[5,5]O[5]C)	106.3380	0.000	1	107.4030	0.863	9	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,5|H<1>}	H(C[5]N[5,5]O[5]C)	109.4585	0.053	2	109.4585	0.003	2	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H){1|H<1>,2|C<4>,2|O<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,4|H<1>}	H(C[5]N[5,5]O[5]C)	110.7750	0.000	1	110.7750	0.000	1	108.0266	2.005	12	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S)	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|H<1>}	H(C[5]N[5,5]S[5]C)	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	108.1614	2.075	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|C<3>}	H(C[5]C[5,6a]N[5,5]H)	111.5252	0.055	4	111.5252	0.003	4	111.5252	0.003	4	111.5252	0.003	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|Au<2>,1|C<3>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.8465	0.052	2	111.8465	0.003	2	111.8465	0.003	2	111.8465	0.003	2	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.0155	0.022	2	111.0155	0.000	2	110.7360	1.555	6	110.7360	1.555	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.0150	2.488	2	110.0150	6.188	2	110.7360	1.555	6	110.7360	1.555	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.1775	0.009	2	111.1775	0.000	2	110.7360	1.555	6	110.7360	1.555	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	5:3:4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	H(C[5]C[5,6]N[5,5]H)	110.1750	0.021	2	110.1750	0.000	2	110.1468	0.001	12	110.1468	0.001	12	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	5:3:4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,1|H<1>,1|S<2>,5|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	H(C[5]C[5,6]N[5,5]H)	110.1130	0.017	3	110.1130	0.000	3	110.1468	0.001	12	110.1468	0.001	12	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	5:3:4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,1|N<2>,1|S<2>,5|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	H(C[5]C[5,6]N[5,5]H)	110.1638	0.030	5	110.1638	0.001	5	110.1468	0.001	12	110.1468	0.001	12	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:1:1:	5:3:4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,4|C<3>}	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,4|C<3>}	H(C[5]C[5,6]N[5,5]H)	110.1270	0.006	2	110.1270	0.000	2	110.1468	0.001	12	110.1468	0.001	12	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	110.2170	1.204	7	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[6a]O[5])	109.3420	0.000	1	110.5090	1.429	5	110.5090	1.429	5	110.2170	1.204	7	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]O[5])	111.4800	0.000	1	110.5090	1.429	5	110.5090	1.429	5	110.2170	1.204	7	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	110.9910	1.536	2	110.5090	1.429	5	110.5090	1.429	5	110.2170	1.204	7	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	109.7410	0.000	1	110.5090	1.429	5	110.5090	1.429	5	110.2170	1.204	7	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|O<1>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[6a]S[5])	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	110.2170	1.204	7	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.1385	0.203	2	109.1385	0.041	2	109.1385	0.041	2	109.1385	0.041	2	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H)	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H){1|N<3>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H){2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,5]C)	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.1160	0.000	1	108.5525	0.381	2	108.7896	0.617	5	108.7668	0.497	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.9890	0.000	1	108.5525	0.381	2	108.7896	0.617	5	108.7668	0.497	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ni)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ni<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ni){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.5005	0.255	2	109.5005	0.065	2	108.7896	0.617	5	108.7668	0.497	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]O[5])(C[5]N[5]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,3|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]O[5])(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.8420	0.000	1	107.8420	0.000	1	108.7896	0.617	5	108.7668	0.497	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.7668	0.497	6	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]C)	108.9770	0.000	1	108.9770	0.000	1	109.5074	0.890	5	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]C)	109.8860	1.114	3	109.8860	1.241	3	109.5074	0.890	5	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]C)	108.9020	0.000	1	108.9020	0.000	1	109.5074	0.890	5	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H){1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>}	H(C[5]N[5,5]C[5]C)	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.7210	0.000	1	108.7210	0.000	1	108.7290	0.153	6	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.4330	0.000	1	109.4330	0.000	1	108.7290	0.153	6	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.7090	0.229	2	108.5550	0.050	4	108.7290	0.153	6	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.4010	0.041	2	108.5550	0.050	4	108.7290	0.153	6	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]O){4|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.0290	0.634	2	109.0290	0.401	2	109.0290	0.401	2	109.0179	0.536	14	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:2:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:Se[5]-2:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2{2|C<3>}	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.7368	0.260	5	111.7368	0.067	5	111.7368	0.067	5	111.7368	0.067	5	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:3:4:	4:	N[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	H(C[5]C[5,5]N[5,5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2{1|N<3>,3|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	H(C[5]C[5,5]N[5,5]H)	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.5569	0.040	20	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]S[5])(C[5]C[5,5]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.6950	0.090	8	111.6950	0.008	8	111.6950	0.008	8	111.5569	0.040	20	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.4860	0.000	1	111.4860	0.000	1	111.6503	0.020	3	111.5569	0.040	20	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|Cu<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.7325	0.012	2	111.7325	0.000	2	111.6503	0.020	3	111.5569	0.040	20	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.5733	0.016	4	111.5733	0.000	4	111.5733	0.000	4	111.5569	0.040	20	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|Pd<4>,2|C<3>,2|H<1>}	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.3080	0.111	4	111.3080	0.012	4	111.3080	0.012	4	111.5569	0.040	20	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H)	H(C[5]C[5,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(H)2{2|C<3>,2|N<3>,7|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H){3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]H)	111.0095	0.059	2	111.0095	0.003	2	111.0095	0.003	2	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	110.7937	0.156	6	110.7937	0.024	6	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.7285	0.235	2	111.7285	0.055	2	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.4938	0.245	6	111.4938	0.060	6	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|F<1>,1|N<2>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H){1|C<3>,1|F<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.6317	0.082	4	111.5589	0.022	10	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.5103	0.170	6	111.5589	0.022	10	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]Se)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]Se){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.4350	0.033	2	111.4350	0.001	2	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.2740	0.064	2	111.2740	0.004	2	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Ge<4>,1|N<3>,2|C<4>}	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Rh<4>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.3940	0.027	4	111.3870	0.001	6	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Ge<4>,1|N<3>,2|C<4>}	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){2|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.3730	0.014	2	111.3870	0.001	6	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S){1|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	108.8690	1.344	2	110.5103	2.127	6	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|S<1>,1|S<2>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S){1|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.3310	0.499	4	110.5103	2.127	6	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]C)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|S<2>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]C){2|H<1>}	H(C[5]N[5,5]C[5]H)	109.9360	2.594	2	109.9360	6.727	2	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|S<1>,1|S<2>,2|C<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.3280	0.038	3	111.3280	0.001	3	111.1873	0.632	45	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	108.2255	3.766	4	108.2255	14.184	4	110.2185	6.755	11	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,3|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|S<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.3574	0.074	7	111.3574	0.005	7	110.2185	6.755	11	110.9974	1.819	58	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[3,5]N[5,5]H)	110.9255	0.021	2	110.9255	0.000	2	110.9255	0.000	2	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2{1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.4600	0.031	2	111.4600	0.001	2	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.5755	0.114	4	111.5755	0.013	4	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	H(C[5]N[5,5]C[5]H)	111.3880	0.047	2	111.6393	0.034	18	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.8083	0.062	6	111.6393	0.034	18	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	H(C[5]N[5,5]C[5]H)	111.4210	0.054	2	111.6393	0.034	18	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.5607	0.021	4	111.6393	0.034	18	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{3|Zn<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.5265	0.057	2	111.6393	0.034	18	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{2|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{3|Zn<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.8720	0.010	2	111.6393	0.034	18	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2{1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	108.6415	0.200	2	108.6415	0.040	2	111.3851	0.681	26	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.1352	0.311	4	110.1352	0.097	4	109.7267	0.975	6	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	108.9095	1.607	2	108.9095	2.583	2	109.7267	0.975	6	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	111.3115	0.105	4	111.3115	0.011	4	111.3115	0.011	4	111.0913	0.962	38	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[3,5]N[5,5]H)	110.1710	1.558	2	110.1710	2.429	2	110.1710	2.429	2	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(C[5]N[5,5]C[5]H)	111.3780	0.010	2	111.3780	0.000	2	111.0875	0.113	4	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.7970	0.021	2	110.7970	0.000	2	111.0875	0.113	4	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.3060	0.037	3	111.3060	0.001	3	111.1713	0.030	11	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.0865	0.006	2	111.0865	0.000	2	111.1713	0.030	11	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.8660	0.023	2	110.8660	0.001	2	111.1713	0.030	11	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<6>,1|O<1>,2|C<3>}	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|Co<10>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	H(C[5]N[5,5]C[5]H)	111.2625	0.036	2	111.2625	0.001	2	111.1713	0.030	11	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.2680	0.018	2	111.2680	0.000	2	111.1713	0.030	11	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH){2|C<4>,7|H<1>}	H(C[5]N[5,5]C[5]H)	110.1775	1.532	4	110.1775	2.346	4	110.1775	2.346	4	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	111.5410	0.014	2	111.5410	0.000	2	111.5410	0.000	2	110.9290	0.682	23	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.0700	0.018	2	111.0700	0.000	2	111.0705	0.000	4	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<4>,7|H<1>}	H(C[5]N[5,5]C[5]H)	111.0710	0.021	2	111.0710	0.000	2	111.0705	0.000	4	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]N)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]N){2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.6190	0.041	2	110.6190	0.002	2	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	110.9795	0.021	2	110.9795	0.000	2	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.1525	0.018	2	110.7022	1.177	10	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,1|S<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.1555	0.018	2	110.7022	1.177	10	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.4000	0.031	2	110.7022	1.177	10	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,7|H<1>}	H(C[5]N[5,5]C[5]H)	110.5170	1.492	2	110.7022	1.177	10	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,7|H<1>}	H(C[5]N[5,5]C[5]H)	109.2860	1.580	2	110.7022	1.177	10	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.1124	0.087	7	110.9541	0.053	11	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.6770	0.038	4	110.9541	0.053	11	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.2713	0.029	4	111.2872	0.017	9	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.1820	0.114	3	111.2872	0.017	9	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.4770	0.027	2	111.2872	0.017	9	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.4655	0.018	2	111.4655	0.000	2	110.9786	0.389	36	110.9966	0.345	41	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH){2|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.6850	0.042	2	111.6850	0.002	2	111.6850	0.002	2	111.6850	0.002	2	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:2:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O){2|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]C)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]C)	110.3070	0.194	2	110.3070	0.038	2	110.3070	0.038	2	109.9437	0.199	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	H(C[5]N[5,5]C[5]N)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	H(C[5]N[5,5]C[5]N)	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.9437	0.199	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	H(C[5]N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	H(C[5]N[5,5]C[5]N[5])	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.9437	0.199	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O){5|C<3>,5|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	107.8997	0.636	3	107.8997	0.404	3	107.8997	0.404	3	107.8997	0.404	3	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]C)	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.6672	2.487	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	H(C[5]N[5,5]C[5]C)	111.8530	0.000	1	111.8530	0.000	1	109.7907	3.639	3	109.6672	2.487	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]C)	109.4300	0.000	1	109.4300	0.000	1	109.7907	3.639	3	109.6672	2.487	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	108.0890	0.000	1	108.0890	0.000	1	109.7907	3.639	3	109.6672	2.487	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H){1|B<4>,1|C<3>,1|N<3>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]C)	109.9715	0.661	2	109.9715	0.437	2	109.6761	0.286	12	109.6514	0.270	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|B<4>,1|C<3>,1|N<3>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]C)	109.7600	0.238	2	109.7600	0.056	2	109.6761	0.286	12	109.6514	0.270	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|B<4>,1|C<3>,1|N<3>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]C)	109.8950	0.379	4	109.8950	0.144	4	109.6761	0.286	12	109.6514	0.270	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]C)	108.8650	0.643	2	108.8650	0.414	2	109.6761	0.286	12	109.6514	0.270	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|N<3>,1|P<3>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]C)	109.6700	0.330	2	109.6700	0.109	2	109.6761	0.286	12	109.6514	0.270	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]C)	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	109.6514	0.270	13	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|F<1>,1|N<2>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,1|F<1>,3|H<1>}	H(C[5]N[5,5]C[5]C)	109.7400	0.342	2	109.5190	0.205	3	109.4328	0.104	6	109.5316	0.118	10	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|N<2>,1|N<3>,3|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	109.0770	0.000	1	109.5190	0.205	3	109.4328	0.104	6	109.5316	0.118	10	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]Se)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H){1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]Se){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	109.1390	0.000	1	109.1390	0.000	1	109.4328	0.104	6	109.5316	0.118	10	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H){1|N<2>,1|N<3>,3|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	109.4505	0.009	2	109.4505	0.000	2	109.4328	0.104	6	109.5316	0.118	10	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]C)	109.9040	0.342	2	109.9040	0.117	2	109.6797	0.132	4	109.5316	0.118	10	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|O<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]C)	109.4555	0.276	2	109.4555	0.076	2	109.6797	0.132	4	109.5316	0.118	10	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>,3|O<1>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5]C[5,5]N[5,5]C)	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]C)	110.4265	0.115	2	110.4265	0.013	2	110.4265	0.013	2	110.4265	0.013	2	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H)	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]C)	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	109.5725	0.343	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5,5](C[5,5]C[5]2O)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2O)(C[5]C[5]CH)(C[5]C[5]O){6|H<1>}	H(C[5]N[5,5]C[5]C)	109.8210	0.000	1	109.8210	0.000	1	109.9770	0.049	2	109.5725	0.343	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<2>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]H){2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	110.1330	0.000	1	110.1330	0.000	1	109.9770	0.049	2	109.5725	0.343	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<2>,2|O<1>,3|H<1>}	H(C[5]N[5,5]S[5]C)	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	109.5725	0.343	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[5,3x6]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O)	H(C[5]C[5,3x6]N[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,3x6]N[5,5]H)	111.3090	0.013	2	111.3090	0.000	2	111.3090	0.000	2	111.0685	0.078	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,2|O<1>,2|O<2>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]N[5,5]H)	110.8280	0.037	2	110.8280	0.001	2	110.8280	0.001	2	111.0685	0.078	4	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	H(C[5]C[5,6]N[5,5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5,5]C)	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5]C[5,5]N[5,5]C)	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	110.4925	1.752	306	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:2:4:1:	4:3:4:	4:	N[5,6,6]-3:O[5]-2:C-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH)	H(C[5]N[5,6,6]O[5]C)	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]N[5,6,6]O[5]C)	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O)	H(C[5]N[5,6,6]C[6a]O[5])	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6,6]C[6a]O[5])	109.9500	0.000	1	109.9500	0.000	1	110.7840	2.511	4	110.7840	2.511	4	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O)	H(C[5]N[5,6,6]C[6a]O[5])	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6,6]C[6a]O[5])	111.0620	1.817	3	111.0620	3.303	3	110.7840	2.511	4	110.7840	2.511	4	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-3:C-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH)	H(C[5]N[5,6,6]C[5]C)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>}	H(C[5]N[5,6,6]C[5]C)	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]N[5,6,6]C[5]H)	109.2945	0.148	2	109.2945	0.022	2	110.9920	0.593	26	111.0059	0.552	28	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]N[5,6,6]C[5]H)	111.3254	0.123	13	111.3254	0.015	13	110.9920	0.593	26	111.0059	0.552	28	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]N[5,6,6]C[5]H)	111.3117	0.043	7	111.3117	0.002	7	110.9920	0.593	26	111.0059	0.552	28	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5]N[5,6,6]C[5]H)	109.2915	0.941	2	109.2915	0.886	2	110.9920	0.593	26	111.0059	0.552	28	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	H(C[5]N[5,6,6]C[5]H)	111.1035	0.016	2	111.1035	0.000	2	110.9920	0.593	26	111.0059	0.552	28	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<1>}	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,6,6]C[5]H)	111.1870	0.006	2	111.1870	0.000	2	111.1870	0.000	2	111.0059	0.552	28	110.9526	0.751	34	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH)	H(C[5]N[5,6]O[5]H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]N[5,6]O[5]H)	110.7920	0.016	2	110.7920	0.000	2	110.7002	0.012	4	110.7002	0.012	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	H(C[5]N[5,6]O[5]H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]N[5,6]O[5]H)	110.6085	0.037	2	110.6085	0.001	2	110.7002	0.012	4	110.7002	0.012	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:2:1:1:	4:4:3:	4:	N[5,6]-3:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]S[5]H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6]S[5]H)	110.6141	0.049	7	110.6141	0.002	7	110.6141	0.002	7	110.6141	0.002	7	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:2:4:1:	4:3:4:	4:	N[5,6]-3:S[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH)	H(C[5]N[5,6]S[5]C)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[5,6]S[5]C)	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.2495	0.012	4	111.2495	0.000	4	111.2495	0.000	4	111.3074	0.007	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.4280	0.066	2	111.3653	0.007	4	111.3653	0.007	4	111.3074	0.007	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.3025	0.040	2	111.3653	0.007	4	111.3653	0.007	4	111.3074	0.007	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.2960	0.069	2	111.2960	0.005	2	111.2960	0.005	2	111.2960	0.005	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(H)2	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH){3|C<3>}	H(C[5]N[5,6]C[5]H)	110.1255	0.012	2	110.1255	0.000	2	110.1255	0.000	2	110.5437	0.525	3	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH)	H(C[5]N[5,6]2H)	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2{2|N<3>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]2H)	111.3800	0.000	1	111.3800	0.000	1	111.3800	0.000	1	110.5437	0.525	3	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[5,6a]-3:H-1:H-1:	B[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]N[5,6]H)	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]N[5,6]H)	111.1075	0.015	2	111.1075	0.000	2	111.1075	0.000	2	111.0250	0.004	6	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	B[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]B[5,6]C[6])(C[5]O[5]O)(H)2	N[5,6](B[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]B[5,6]C[6])(C[5]O[5]O)(H)2{1|O<2>,3|C<3>}	N[5,6](B[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]C[6a])(C[5]C[5]HH){1|O<1>,6|C<3>}	H(C[5]N[5,6]C[5]H)	110.9838	0.011	4	110.9838	0.000	4	110.9838	0.000	4	111.0250	0.004	6	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O)	H(C[5]C[5,6a]N[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6]H)	110.7835	0.196	4	110.7835	0.038	4	111.1326	0.157	8	111.2609	0.110	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O)	H(C[5]C[5,6a]N[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,2|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5,6]H)	111.4818	0.049	4	111.4818	0.002	4	111.1326	0.157	8	111.2609	0.110	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.4675	0.013	4	111.4675	0.000	4	111.4318	0.005	6	111.2609	0.110	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]N[5,6]C[5]H)	111.3605	0.093	2	111.3605	0.009	2	111.4318	0.005	6	111.2609	0.110	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:2:1:	4:4:3:	4:	C[5,6a]-3:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S)	H(C[5]C[5,6a]N[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S){3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,6]O)	111.0720	0.147	2	111.0720	0.022	2	111.0720	0.022	2	110.4388	0.761	5	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O)	H(C[5]N[5,6]C[6a]O[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[6a]O[5])	109.3110	0.000	1	109.3110	0.000	1	110.0167	0.843	3	110.4388	0.761	5	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O)	H(C[5]N[5,6]C[6a]O[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]O[5])	109.6840	0.000	1	109.6840	0.000	1	110.0167	0.843	3	110.4388	0.761	5	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]O[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]O[5])	111.0550	0.000	1	111.0550	0.000	1	110.0167	0.843	3	110.4388	0.761	5	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H)	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]N[5])	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:3:4:	4:	N[5,6]-3:C[5]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H)	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H){1|H<1>,1|S<2>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]2)	110.0620	0.298	2	110.0620	0.089	2	110.0620	0.089	2	110.0620	0.089	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	109.7810	0.000	1	109.7810	0.000	1	109.2339	0.248	7	109.2596	0.218	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	109.2960	0.000	1	109.2960	0.000	1	109.2339	0.248	7	109.2596	0.218	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	108.9205	0.353	4	108.9205	0.125	4	109.2339	0.248	7	109.2596	0.218	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[5a]C[5])	109.8780	0.000	1	109.8780	0.000	1	109.2339	0.248	7	109.2596	0.218	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.2596	0.218	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H){2|C<3>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]C)	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	110.9928	3.572	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	Ge[6]-3:C[5]-4:C[5,6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5]){2|H<1>,3|C<3>,4|C<4>}	H(C[5]N[5,6]C[6a]C[5])	109.7485	0.019	2	109.7485	0.000	2	109.7485	0.000	2	110.9928	3.572	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:3:	4:	N[5,6]-3:N[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]N[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]N[5]C)	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H){1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]N[5]CH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[5]N[5,6]N[5]C)	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	110.9928	3.572	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO){2|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	109.4445	0.094	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,4|C<3>,6|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.6180	0.000	1	109.6180	0.000	1	109.5973	0.000	3	109.4445	0.094	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H){1|N<3>,5|C<3>,5|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.5870	0.016	2	109.5870	0.000	2	109.5973	0.000	3	109.4445	0.094	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:Ge[6]-2:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.4193	0.511	9	109.4193	0.261	9	109.4193	0.261	9	109.4193	0.261	9	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[6a]C[5])	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	110.0427	0.563	3	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:Ge[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.6210	0.245	2	109.6210	0.060	2	109.6210	0.060	2	110.0427	0.563	3	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]C)	107.1110	1.723	2	107.1110	2.967	2	109.0837	2.593	7	109.0837	2.593	7	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[5,6]C[5]C)	110.5575	0.203	2	110.5575	0.041	2	109.0837	2.593	7	109.0837	2.593	7	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]N[5,6]C[5]C)	109.5355	0.066	2	109.5355	0.004	2	109.0837	2.593	7	109.0837	2.593	7	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH){1|H<1>,2|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	109.1780	0.000	1	109.1780	0.000	1	109.0837	2.593	7	109.0837	2.593	7	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6]C[5]C)	110.7960	0.000	1	110.7960	0.000	1	109.5983	1.131	4	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]N[5,6]C[5]C)	108.7340	0.000	1	108.7340	0.000	1	109.5983	1.131	4	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6]C[5]C)	109.4315	1.076	2	109.4315	1.157	2	109.5983	1.131	4	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H){1|O<1>,3|C<4>}	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]C)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.8750	0.000	1	108.7175	0.050	2	108.7175	0.050	2	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.5600	0.000	1	108.7175	0.050	2	108.7175	0.050	2	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.5210	0.000	1	109.5210	0.000	1	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O){1|O<2>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.7790	0.000	1	108.7790	0.000	1	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.6430	0.000	1	109.6430	0.000	1	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[5]N[5,6]C[6a]C[5])	110.3220	0.000	2	109.7253	0.319	8	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.6300	0.789	2	109.7253	0.319	8	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.4745	0.457	4	109.7253	0.319	8	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.2760	0.000	1	109.2760	0.000	1	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.2250	0.000	1	108.2250	0.000	1	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|N<2>,5|C<3>,5|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.3600	0.000	1	109.3600	0.000	1	109.4719	0.374	14	109.3838	0.503	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:3:4:1:	5:4:3:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	Si[5,6]-5:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H)	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>}	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	H(C[5]N[5,6]C[5]C)	109.7433	1.004	3	109.7433	1.008	3	109.7433	1.008	3	109.7433	1.008	3	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5,6]N[5])(C[5,6]N[6,6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{3|N<3>}	N[5,6](C[5,6]N[5,6]N[5])(C[5,6]N[6,6]N[5])(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	111.5845	0.023	2	111.5845	0.001	2	111.5845	0.001	2	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.9390	0.069	4	110.9390	0.005	4	111.1785	0.079	12	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]S)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]S)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.8620	0.010	2	110.8620	0.000	2	111.1785	0.079	12	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6])(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	111.4275	0.022	2	111.4275	0.000	2	111.1785	0.079	12	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.4545	0.022	2	111.4545	0.000	2	111.1785	0.079	12	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]N[5])(C[5]C[5]HH){1|Ir<8>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.4490	0.013	2	111.4490	0.000	2	111.1785	0.079	12	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>}	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	111.6112	0.143	4	111.6112	0.020	4	111.6112	0.020	4	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.1790	0.007	4	111.1790	0.000	4	110.5220	0.450	10	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.0840	0.485	6	110.0840	0.235	6	110.5220	0.450	10	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]H)	106.6500	1.069	2	106.6500	1.143	2	110.3206	5.308	8	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.3890	0.030	2	111.3890	0.001	2	110.3206	5.308	8	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.6218	0.062	4	111.6218	0.004	4	110.3206	5.308	8	110.8787	1.393	37	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.8022	0.028	5	110.8022	0.001	5	113.3131	82.612	7	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	119.5905	19.630	2	119.5905	385.337	2	113.3131	82.612	7	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.9830	0.037	2	110.9830	0.001	2	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.0190	0.076	2	111.0190	0.006	2	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.1425	0.030	2	111.1425	0.001	2	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	111.2160	0.000	1	111.2160	0.000	1	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.2146	0.131	8	111.2146	0.017	8	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0850	0.023	2	111.1563	0.004	6	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2105	0.029	2	111.1563	0.004	6	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.1735	0.042	2	111.1563	0.004	6	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2025	0.005	2	111.2025	0.000	2	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]O){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	111.3050	0.045	2	111.3050	0.002	2	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]N[6]S)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<1>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]N[6]S){2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	108.1515	0.101	4	108.1515	0.010	4	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|S<1>,1|S<2>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S){1|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.3820	1.872	4	110.5858	2.835	5	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,1|S<1>,1|S<2>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S){1|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	111.4010	0.000	1	110.5858	2.835	5	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.5020	0.007	2	110.5020	0.000	2	110.7143	1.236	36	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:Si[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){3|C<4>,4|H<1>}	H(C[5]N[5,6]Si[5]H)	111.1290	0.006	4	111.1290	0.000	4	111.1290	0.000	4	111.1366	12.577	47	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<2>,4|C<4>}	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0440	0.007	2	111.0440	0.000	2	111.0440	0.000	2	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9620	0.017	2	110.9620	0.000	2	110.9620	0.000	2	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.8900	0.024	2	110.8900	0.001	2	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.2177	0.063	4	110.8786	0.179	16	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|P<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9515	0.025	2	110.8786	0.179	16	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|B<4>,1|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.1270	0.477	2	110.8786	0.179	16	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.0865	0.139	4	110.8786	0.179	16	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.3370	0.013	2	110.8786	0.179	16	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,7|H<1>}	H(C[5]N[5,6]C[5]H)	111.0045	0.032	2	110.8786	0.179	16	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|Fe<6>,2|N<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.4673	0.066	6	111.4673	0.004	6	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	H(C[5]N[5,6]C[5]H)	108.7695	0.152	2	108.7695	0.023	2	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.4193	0.037	4	111.4193	0.001	4	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.3957	0.028	4	111.3957	0.001	4	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.3220	0.006	2	111.3220	0.000	2	111.0023	0.451	36	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2	N[5,6](C[5,6]N[6]S[5])(C[5]C[5]HH)(S[6]C[6]OO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,2|O<1>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5]HH)(S[6]C[6]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.3360	0.263	2	110.3360	0.069	2	110.3360	0.069	2	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.9255	0.008	2	109.2030	5.054	4	109.2030	5.054	4	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	107.4805	1.815	2	109.2030	5.054	4	109.2030	5.054	4	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.1635	0.037	2	111.1635	0.001	2	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.0078	0.045	4	110.8957	0.025	18	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.8100	0.189	8	110.8957	0.025	18	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9353	0.093	6	110.8957	0.025	18	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<2>,2|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.6511	0.186	8	110.7130	0.044	10	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.9605	0.006	2	110.7130	0.044	10	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	112.3745	0.139	2	112.3745	0.019	2	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH){3|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9567	0.018	3	110.9567	0.000	3	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9305	0.074	4	110.9305	0.005	4	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9645	0.022	2	110.9645	0.000	2	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9604	0.010	5	110.9604	0.000	5	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.4710	0.192	2	111.4710	0.037	2	110.9707	0.131	48	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:P[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2{1|N<3>,1|S<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.9005	0.011	2	110.9005	0.000	2	110.9005	0.000	2	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:Si[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6]Si[5]H)	110.6688	0.154	4	110.6688	0.024	4	110.6688	0.024	4	110.8865	0.508	100	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH){6|C<4>,6|H<1>}	H(C[5]C[5,6]N[5,6]H)	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]H)	110.6107	1.603	4	110.6107	2.569	4	110.6107	2.569	4	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	111.2985	0.036	2	111.2985	0.001	2	111.2985	0.001	2	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0850	0.049	2	111.0850	0.002	2	111.0850	0.002	2	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2450	0.025	2	111.2450	0.001	2	111.2450	0.001	2	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9095	0.022	2	110.9095	0.000	2	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	111.0165	0.021	2	111.0165	0.000	2	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.0380	0.031	2	111.0380	0.001	2	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.2010	2.895	8	110.2010	8.383	8	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.0720	0.127	2	111.0148	0.008	12	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9440	0.014	2	111.0148	0.008	12	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0955	0.040	2	111.0148	0.008	12	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0990	0.006	2	111.0148	0.008	12	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9190	0.025	2	111.0148	0.008	12	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9595	0.011	2	111.0148	0.008	12	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.3055	0.022	2	111.3055	0.000	2	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	111.1427	0.110	6	111.1878	0.013	10	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.2555	0.094	4	111.1878	0.013	10	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9805	0.021	2	110.9805	0.000	2	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9703	0.037	3	110.9703	0.001	3	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.0335	0.032	2	111.0335	0.001	2	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.1573	0.048	4	111.1573	0.002	4	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9710	0.000	1	110.9710	0.000	1	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.1330	0.033	4	111.1330	0.001	4	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.0373	0.087	4	111.0373	0.008	4	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.3910	0.000	1	111.3910	0.000	1	110.9629	1.118	59	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.5825	0.053	2	111.5825	0.003	2	111.0932	0.257	9	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2770	0.038	2	111.2165	0.006	4	111.0932	0.257	9	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|N<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.1560	0.030	2	111.2165	0.006	4	111.0932	0.257	9	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.3200	0.000	1	111.3200	0.000	1	111.0932	0.257	9	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.2440	0.013	2	110.2440	0.000	2	111.0932	0.257	9	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.0360	0.000	1	111.0360	0.000	1	111.1666	0.006	5	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	111.1890	0.004	2	111.1890	0.000	2	111.1666	0.006	5	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2095	0.035	2	111.2095	0.001	2	111.1666	0.006	5	110.9964	0.917	84	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O)	H(C[5]C[5,5]N[5,6]H)	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[5]C[5,5]N[5,6]H)	111.2143	0.167	7	111.2143	0.028	7	111.2143	0.028	7	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,6]N[5,6]H)	111.0825	0.039	4	111.0825	0.001	4	111.0825	0.001	4	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	110.8910	0.119	3	110.9005	0.004	14	110.8707	0.005	20	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|H<1>,6|C<4>}	H(C[5]N[5,6]C[5]H)	110.9565	0.067	2	110.9005	0.004	14	110.8707	0.005	20	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	110.8912	0.039	9	110.9005	0.004	14	110.8707	0.005	20	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<2>,1|S<1>,3|C<4>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S){1|C<3>,4|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	110.8012	0.037	6	110.8012	0.001	6	110.8707	0.005	20	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.5620	0.027	2	110.9925	0.247	4	111.0055	0.149	6	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){4|C<4>,8|H<1>}	H(C[5]N[5,6]C[5]H)	111.4230	0.008	2	110.9925	0.247	4	111.0055	0.149	6	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0315	0.011	2	111.0315	0.000	2	111.0055	0.149	6	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	111.0200	0.057	2	111.0200	0.003	2	111.0200	0.003	2	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.8465	0.043	4	110.8465	0.002	4	110.8465	0.002	4	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.0380	0.025	2	111.0380	0.001	2	111.1000	0.026	5	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2630	0.054	2	111.2630	0.003	2	111.1000	0.026	5	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	H(C[5]N[5,6]C[5]H)	110.8980	0.000	1	110.8980	0.000	1	111.1000	0.026	5	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.0990	0.000	1	111.0990	0.000	1	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	109.1320	0.834	2	109.1320	0.696	2	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.8770	0.000	1	110.8770	0.000	1	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.8992	0.212	4	110.8992	0.045	4	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9880	0.000	1	110.9880	0.000	1	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9550	0.057	2	110.8335	0.037	6	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9585	0.012	2	110.8335	0.037	6	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,8|H<1>}	H(C[5]N[5,6]C[5]H)	110.5870	0.004	2	110.8335	0.037	6	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	111.0632	0.037	4	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.7400	0.011	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0256	0.128	16	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<1>,6|H<1>}	H(C[5]N[5,6]C[5]H)	109.7235	1.115	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9335	0.026	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0465	0.005	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.8235	0.057	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9330	0.004	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.9205	0.015	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	H(C[5]N[5,6]C[5]H)	111.3320	0.008	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	H(C[5]N[5,6]C[5]H)	111.1150	0.008	2	110.9421	0.139	38	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9165	0.018	2	111.0590	0.026	10	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.9472	0.055	4	111.0590	0.026	10	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2420	0.018	4	111.0590	0.026	10	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.0307	0.088	4	111.0307	0.008	4	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9110	0.044	2	110.9110	0.002	2	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.6920	0.045	2	110.6920	0.002	2	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.8075	0.039	2	110.8075	0.002	2	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N){1|C<4>,1|N<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.3655	0.022	2	111.3655	0.000	2	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.4305	0.067	4	110.4305	0.004	4	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.4393	0.022	4	110.4393	0.000	4	110.8599	0.186	83	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:S[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]S[5]H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,2|H<1>,3|O<1>}	H(C[5]N[5,6]S[5]H)	111.0270	0.065	2	111.0757	0.005	4	111.0757	0.005	4	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:S[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]S[5]H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,3|H<1>,3|O<1>}	H(C[5]N[5,6]S[5]H)	111.1245	0.028	2	111.0757	0.005	4	111.0757	0.005	4	110.9102	0.133	135	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	5:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>,3|O<2>}	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.6502	0.313	4	110.6502	0.098	4	110.3753	0.199	7	109.7017	0.995	11	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	5:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|P<2>,2|C<3>,2|O<2>}	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.0087	0.311	3	110.0087	0.097	3	110.3753	0.199	7	109.7017	0.995	11	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	5:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[5,6,6]-5:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[6]C[6,6a]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	108.5230	0.090	4	108.5230	0.008	4	108.5230	0.008	4	109.7017	0.995	11	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	5:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Ga[5,6,6]-5:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	108.6532	0.186	4	108.6532	0.035	4	108.6532	0.035	4	109.3421	0.215	15	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	5:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[5,6,6]-5:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	109.5207	0.070	4	109.5207	0.005	4	109.5926	0.032	11	109.3421	0.215	15	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	5:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[5,6,6]-5:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|O<2>}	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	109.8427	0.042	3	109.6337	0.046	7	109.5926	0.032	11	109.3421	0.215	15	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	5:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[5,6,6]-5:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|O<2>}	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	109.4770	0.120	4	109.6337	0.046	7	109.5926	0.032	11	109.3421	0.215	15	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[3x5,6,6]-6:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	N[5,6](In[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[6]C[6,6a]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	N[5,6](In[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[6]C[6,6a]H)(C[5]C[5]HH){4|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	109.9922	0.084	4	109.9922	0.007	4	109.9922	0.007	4	110.2751	0.060	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Si[5,6,6]-6:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]H)	110.4505	0.061	4	110.4505	0.004	4	110.3693	0.041	12	110.2751	0.060	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Si[5,6,6]-6:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]H)	110.3287	0.238	8	110.3287	0.057	8	110.3693	0.041	12	110.2751	0.060	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Ga[3x5,6,6]-6:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|C<4>,2|O<2>}	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,4|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	109.9695	0.052	2	109.9695	0.003	2	109.9695	0.003	2	109.7939	0.087	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Ga[5,6,6]-6:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Ga[5,6,6]N[5,6]O[6]2ClLi)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Li<6>,1|C<4>,2|C<3>,2|O<3>}	N[5,6](Ga[5,6,6]N[5,6]O[6]2ClLi)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	109.8785	0.163	2	109.8785	0.027	2	109.8785	0.027	2	109.7939	0.087	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[5,6,6]-6:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](In[5,6,6]N[5,6]O[5]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,1|O<3>,2|C<3>,2|O<2>}	N[5,6](In[5,6,6]N[5,6]O[5]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	109.5307	0.056	4	109.5307	0.003	4	109.5867	0.005	8	109.7939	0.087	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[5,6,6]-6:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](In[5,6,6]N[5,6]O[6]2ClO)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|O<2>}	N[5,6](In[5,6,6]N[5,6]O[6]2ClO)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	109.6428	0.031	4	109.6428	0.001	4	109.5867	0.005	8	109.7939	0.087	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:1:1:	6:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	Si[5,6,6]-6:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>,2|N<2>,2|O<2>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.3625	0.033	2	110.3625	0.001	2	110.3625	0.001	2	109.7939	0.087	14	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:P[5]-4:O-2:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	H(C[5]N[5,6]P[5]O)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H){1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]P[5]O)	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:S[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O)	H(C[5]N[5,6]C[5]S[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O){1|N<2>,1|N<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]S[5])	108.1645	0.613	2	108.1645	0.376	2	108.1645	0.376	2	108.1645	0.376	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	109.1170	0.000	1	109.1170	0.000	1	109.8355	0.485	4	109.8355	0.485	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.7585	0.408	2	109.7585	0.166	2	109.8355	0.485	4	109.8355	0.485	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	110.7080	0.000	1	110.7080	0.000	1	109.8355	0.485	4	109.8355	0.485	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H){4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	110.7670	0.000	1	110.7670	0.000	1	110.9195	0.047	2	110.9195	0.047	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H){1|S<4>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){1|N<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	111.0720	0.000	1	111.0720	0.000	1	110.9195	0.047	2	110.9195	0.047	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.7420	0.000	1	108.6695	0.011	2	108.6695	0.011	2	108.6695	0.011	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.5970	0.000	1	108.6695	0.011	2	108.6695	0.011	2	108.6695	0.011	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H){1|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	110.8090	1.345	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]N[5]H)(C[6]C[6]H)	H(C[5]N[5,6]C[5]N[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]N[5])	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	110.8090	1.345	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|C<3>,1|N<2>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH){2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.2635	0.413	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){3|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]C)	109.7420	0.035	2	109.7420	0.001	2	109.7420	0.001	2	110.2635	0.413	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H)	H(C[5]N[5,6]C[5]N[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,2|O<1>,7|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H){4|H<1>,7|C<3>}	H(C[5]N[5,6]C[5]N[5])	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	110.2635	0.413	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:Si[5]-4:N[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H)	N[5,6](C[5]N[6a]Si[5]H)(C[5,6]C[6]O[5])(C[6]C[6]H)	H(C[5]N[5,6]N[6a]Si[5])	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5]N[6a]Si[5]H)(C[5,6]C[6]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]N[6a]Si[5])	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.9625	1.009	2	109.9625	1.018	2	109.9625	1.018	2	109.9625	1.018	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	110.4090	0.000	1	110.4090	0.000	1	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	109.3940	0.000	1	109.3940	0.000	1	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	109.2460	0.000	1	109.2460	0.000	1	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	H(C[5]N[5,6]C[5]C)	110.8600	0.000	1	110.8600	0.000	1	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5]N[5,6]C[5]C)	110.1500	0.000	1	110.0661	0.285	8	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	H(C[5]N[5,6]C[5]C)	110.0541	0.575	7	110.0661	0.285	8	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<2>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.9280	0.000	1	109.8625	0.009	2	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.7970	0.000	1	109.8625	0.009	2	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.1780	0.000	1	109.1780	0.000	1	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]C)	110.3210	0.000	1	109.7365	0.195	4	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.7210	0.000	1	109.7365	0.195	4	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.2510	0.000	1	109.7365	0.195	4	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,2|C<4>,3|O<1>}	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|O<1>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.6530	0.000	1	109.7365	0.195	4	109.9098	0.294	19	109.9098	0.294	19	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	108.5750	0.000	1	108.5750	0.000	1	108.4175	0.050	2	108.4175	0.050	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H)	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[5]N[5,6]C[5]C)	108.2600	0.000	1	108.2600	0.000	1	108.4175	0.050	2	108.4175	0.050	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:B[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H)	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH){1|B<4>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]C)	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	109.2550	0.541	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]C)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.2550	0.541	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH){2|C<4>,3|C<3>,8|H<1>}	H(C[5]N[5,6]C[5]C)	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]C)	108.9930	0.000	1	108.9930	0.000	1	109.9806	0.677	7	109.8552	0.706	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<1>,6|H<1>}	H(C[5]N[5,6]C[5]C)	110.8530	0.000	1	109.8580	1.980	2	109.9806	0.677	7	109.8552	0.706	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	H(C[5]N[5,6]C[5]C)	108.8630	0.000	1	109.8580	1.980	2	109.9806	0.677	7	109.8552	0.706	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|O<1>,4|H<1>}	H(C[5]N[5,6]C[5]C)	110.3110	0.000	1	110.3110	0.000	1	109.9806	0.677	7	109.8552	0.706	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	H(C[5]N[5,6]C[5]C)	110.0910	0.000	1	110.0910	0.000	1	109.9806	0.677	7	109.8552	0.706	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]C)	110.3765	0.800	2	110.3765	0.640	2	109.9806	0.677	7	109.8552	0.706	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O)	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O){2|C<4>,2|O<2>,8|H<1>}	H(C[5]N[5,6]C[5]2)	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	109.8552	0.706	8	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:5:1:1:	3:3:4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH){1|O<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]Si[5]H)	111.5540	1.580	2	111.5540	2.495	2	111.5540	2.495	2	111.5540	2.495	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:5:1:1:	3:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]Si[5]H)	109.2450	0.028	2	109.2450	0.001	2	109.8303	0.082	16	109.8303	0.082	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:5:1:1:	3:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]Si[5]H)	110.0725	0.021	2	110.0725	0.000	2	109.8303	0.082	16	109.8303	0.082	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:5:1:1:	3:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]Si[5]H)	109.8280	0.018	2	109.8280	0.000	2	109.8303	0.082	16	109.8303	0.082	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:5:1:1:	3:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	H(C[5]N[5,6]Si[5]H)	110.1000	0.095	4	110.1000	0.009	4	109.8303	0.082	16	109.8303	0.082	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:5:1:1:	3:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]Si[5]H)	109.8402	0.082	4	109.8402	0.007	4	109.8303	0.082	16	109.8303	0.082	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	3:5:1:1:	3:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2{1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|C<4>,3|F<1>,4|H<1>}	H(C[5]N[5,6]Si[5]H)	109.6165	0.042	2	109.6165	0.002	2	109.8303	0.082	16	109.8303	0.082	16	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]N[5,6]H)	110.7150	0.028	2	110.7150	0.001	2	110.7150	0.001	2	110.7150	0.001	2	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	3:4:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]N[5,6]H)	111.2070	0.020	2	111.2070	0.000	2	111.2070	0.000	2	111.2673	0.005	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,4|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5,6]H)	111.3275	0.009	2	111.3275	0.000	2	111.3275	0.000	2	111.2673	0.005	4	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.5533	0.077	6	111.5533	0.006	6	111.5533	0.006	6	111.5533	0.006	6	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5,6]N[5,6]H)	109.0555	3.187	2	109.0555	10.157	2	110.3607	3.139	6	110.6468	1.520	12	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5,6]N[5,6]H)	111.3390	0.023	2	111.3390	0.001	2	110.3607	3.139	6	110.6468	1.520	12	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]N[5,6]H)	110.6875	0.032	2	110.6875	0.001	2	110.3607	3.139	6	110.6468	1.520	12	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]N[5,6]H)	110.9330	0.091	6	110.9330	0.008	6	110.9330	0.008	6	110.6468	1.520	12	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]C)	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5,6]C[6a])	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	5:3:1:1:	3:4:3:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]Si[5,5]N[5,6]H)	110.2064	0.069	5	110.2064	0.005	5	110.2229	0.011	21	110.2229	0.011	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	5:3:1:1:	3:4:3:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]Si[5,5]N[5,6]H)	110.3077	0.142	4	110.2280	0.013	16	110.2229	0.011	21	110.2229	0.011	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	5:3:1:1:	3:4:3:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	H(C[5]Si[5,5]N[5,6]H)	110.1848	0.117	6	110.2280	0.013	16	110.2229	0.011	21	110.2229	0.011	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5,6]	H	5:3:1:1:	3:4:3:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]Si[5,5]N[5,6]H)	110.2180	0.070	6	110.2280	0.013	16	110.2229	0.011	21	110.2229	0.011	21	110.5810	1.683	689	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:1:1:	4:4:3:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO){1|O<1>}	H(C[5]N[5]O[5]H)	110.8160	0.000	1	110.8160	0.000	1	110.7773	0.003	7	110.7925	0.068	15	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:1:1:	4:4:3:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	H(C[5]N[5]O[5]H)	110.7708	0.054	6	110.7708	0.003	6	110.7773	0.003	7	110.7925	0.068	15	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:1:1:	4:4:3:	4:	N[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(H)2	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5]S[5]H)	110.8255	0.019	2	110.8255	0.000	2	110.8058	0.132	8	110.7925	0.068	15	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:1:1:	4:4:3:	4:	N[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO){2|H<1>}	H(C[5]N[5]S[5]H)	111.0710	0.096	4	111.0710	0.009	4	110.8058	0.132	8	110.7925	0.068	15	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:1:1:	4:4:3:	4:	N[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){2|H<1>}	H(C[5]N[5]S[5]H)	110.2555	0.104	2	110.2555	0.011	2	110.8058	0.132	8	110.7925	0.068	15	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:2:1:	4:3:3:	4:	N[5]-3:S[5]-2:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CC)(H)	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CC)(H){1|O<1>,2|H<1>}	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO){2|H<1>}	H(C[5]N[5]S[5]C)	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:3:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO){2|H<1>}	H(C[5]N[5]O[5]C)	109.7930	0.000	1	109.7930	0.000	1	109.4960	0.176	2	109.4960	0.176	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:3:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO){2|C<3>,2|H<1>}	H(C[5]N[5]O[5]C)	109.1990	0.000	1	109.1990	0.000	1	109.4960	0.176	2	109.4960	0.176	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	3:4:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H)	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	H(C[5]N[5]O[5]C)	109.9560	0.165	2	109.9560	0.027	2	109.9560	0.027	2	109.9560	0.027	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	3:4:3:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCl3)(H)	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O)	H(C[5]N[5]S[5]C)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCl3)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[5]N[5]S[5]C)	108.8520	0.102	2	108.8520	0.010	2	108.8520	0.010	2	108.8520	0.010	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:3:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	H(C[5]N[5]O[5]C)	109.9460	0.000	1	109.9460	0.000	1	110.1612	0.054	4	109.5072	1.059	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:3:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3){2|H<1>}	H(C[5]N[5]O[5]C)	110.2330	0.224	3	110.2330	0.050	3	110.1612	0.054	4	109.5072	1.059	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:3:4:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H)	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	H(C[5]N[5]S[5]C)	108.1990	0.038	2	108.1990	0.001	2	108.1990	0.001	2	109.5072	1.059	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CC[6a]O)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CC[6a]O){2|H<1>}	H(C[5]N[5]O[5]C)	107.6860	0.000	1	107.6860	0.000	1	109.3017	1.981	3	108.1889	11.681	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){1|O<1>}	H(C[5]N[5]O[5]C)	109.9570	0.000	1	109.9570	0.000	1	109.3017	1.981	3	108.1889	11.681	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO){2|H<1>}	H(C[5]N[5]O[5]C)	110.2620	0.000	1	110.2620	0.000	1	109.3017	1.981	3	108.1889	11.681	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	H(C[5]N[5]S[5]C)	107.1892	4.416	5	107.1892	19.504	5	107.6325	16.783	6	108.1889	11.681	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	H(C[5]N[5]S[5]C)	109.8490	0.000	1	109.8490	0.000	1	107.6325	16.783	6	108.1889	11.681	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:2:4:1:	4:4:4:	4:	N[5]-3:C[5]-2:C-4:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H){1|B<4>,1|C<3>}	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH){2|C<3>}	H(C[5]C[5]N[5]C)	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	B[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2{4|C<3>}	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,2|C<4>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1633	0.032	3	111.1633	0.001	3	111.1633	0.001	3	111.1078	0.006	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5]2H)	111.0245	0.021	2	111.0245	0.000	2	111.0245	0.000	2	111.1078	0.006	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	B[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C)	H(C[5]B[5]N[5]H)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(H)2{1|C<4>,1|P<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C){1|P<3>,2|C<4>,3|C<3>}	H(C[5]B[5]N[5]H)	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3640	0.006	2	111.3640	0.000	2	111.3640	0.000	2	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3275	0.016	2	111.3275	0.000	2	111.2502	0.008	4	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.1730	0.004	2	111.1730	0.000	2	111.2502	0.008	4	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	P[5]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,5|C<3>}	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	H(C[5]C[5,6a]N[5]H)	110.5525	0.005	2	110.5525	0.000	2	110.5525	0.000	2	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9040	0.040	2	110.9040	0.002	2	110.9040	0.002	2	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2{1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|B<4>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7050	0.018	2	110.7050	0.000	2	114.0690	22.723	4	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2{1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	117.4330	4.786	2	117.4330	22.903	2	114.0690	22.723	4	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1540	0.000	1	111.1540	0.000	1	111.0717	0.027	6	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2{1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8620	0.025	2	110.8620	0.001	2	111.0717	0.027	6	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2090	0.000	1	111.1840	0.001	3	111.0717	0.027	6	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1715	0.045	2	111.1840	0.001	3	111.0717	0.027	6	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:F-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])2(F)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O)	H(C[5]N[5]2F)	C[5](N[5]C[6a]C[5])2(F)(H){2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	H(C[5]N[5]2F)	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2	N[5](C[6]C[6]N[6])(C[5]N[5]HH)(C[5]C[5]Ir)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]HH)(C[5]C[5]Ir){3|C<3>,3|H<1>}	H(C[5]N[5]2H)	111.4985	0.076	2	111.4985	0.006	2	111.4985	0.006	2	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5]2H)	110.7280	0.033	2	110.7385	0.003	8	110.8759	0.086	10	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,2|C<4>,4|C<3>}	H(C[5]N[5]2H)	110.7250	0.007	2	110.7385	0.003	8	110.8759	0.086	10	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5]2H)	110.7905	0.062	2	110.7385	0.003	8	110.8759	0.086	10	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	H(C[5]N[5]2H)	110.7105	0.071	2	110.7385	0.003	8	110.8759	0.086	10	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2{1|H<1>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S){3|C<3>,3|H<1>}	H(C[5]N[5]2H)	111.4255	0.028	2	111.4255	0.001	2	110.8759	0.086	10	111.4024	3.140	34	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	B[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](B[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH)	H(C[5]B[5]N[5]H)	C[5](B[5]C[6a]C[5])(N[5]C[5]C)(H)2{4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH){4|C<3>}	H(C[5]B[5]N[5]H)	111.1380	0.008	2	111.1380	0.000	2	111.1380	0.000	2	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{4|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){4|C<3>}	H(C[5]C[5,5]N[5]H)	111.2195	0.011	2	111.2195	0.000	2	111.2195	0.000	2	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.3985	0.780	2	110.3985	0.608	2	110.3985	0.608	2	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2650	0.000	1	111.2650	0.000	1	111.3496	0.005	5	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2{1|C<3>,1|N<2>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO){3|C<3>}	H(C[5]C[5]N[5]H)	111.3708	0.063	4	111.3708	0.004	4	111.3496	0.005	5	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.1145	0.018	2	111.1145	0.000	2	111.3618	0.082	4	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|C<4>}	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.6090	0.049	2	111.6090	0.002	2	111.3618	0.082	4	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2{2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1210	0.505	2	111.1210	0.255	2	111.1210	0.255	2	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5]C[6a]S[5])(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]S[5])(C[5]N[5]O)(H)2{2|C<3>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8755	0.030	2	110.8755	0.001	2	110.8755	0.001	2	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6a]C)2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6a]C)2(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5]2H)	109.4730	0.008	2	109.4730	0.000	2	110.2490	0.803	4	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3)	H(C[5]N[5]2H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3){1|H<1>,3|C<3>}	H(C[5]N[5]2H)	111.0250	0.040	2	111.0250	0.002	2	110.2490	0.803	4	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|N<2>,2|C<3>,3|H<1>}	H(C[5]N[5]2H)	111.4670	0.351	2	111.4670	0.123	2	111.3054	0.053	5	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])2(H)2{2|H<1>,2|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[5]N[5]2H)	111.1977	0.017	3	111.1977	0.000	3	111.3054	0.053	5	111.0437	0.314	28	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5400	0.036	3	111.5400	0.001	3	111.4674	0.018	19	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4630	0.028	2	111.4207	0.003	4	111.4674	0.018	19	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3785	0.016	2	111.4207	0.003	4	111.4674	0.018	19	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4640	0.011	2	111.3050	0.034	4	111.4674	0.018	19	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.1460	0.007	2	111.3050	0.034	4	111.4674	0.018	19	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5446	0.077	8	111.5446	0.006	8	111.4674	0.018	19	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){2|C<4>}	H(C[5]C[5]N[5]H)	111.2160	0.010	2	111.2160	0.000	2	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]O)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.2120	0.063	5	111.2120	0.004	5	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Mn)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Mn)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.3410	0.081	2	111.3410	0.006	2	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]N)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]N)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	111.3920	0.000	1	111.3920	0.000	1	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2445	0.012	2	111.0042	1.975	8	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9242	1.654	6	111.0042	1.975	8	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3820	0.040	4	111.3300	0.006	8	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3270	0.061	2	111.3300	0.006	8	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|N<3>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2290	0.028	2	111.3300	0.006	8	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(H){1|C<3>}	H(C[5]C[5]N[5]H)	111.5620	0.034	2	111.5620	0.001	2	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>}	H(C[5]C[5]N[5]H)	111.5605	0.043	2	111.5605	0.002	2	111.2495	0.513	30	111.3340	0.328	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:2:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(NW)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]N)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(NW){2|H<1>}	H(C[5]C[5]N[5]H)	111.1730	0.137	2	111.1730	0.019	2	111.4388	1.017	40	111.4388	1.017	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:2:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2695	0.083	2	111.4528	1.068	38	111.4388	1.017	40	111.4388	1.017	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:2:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4525	1.075	35	111.4528	1.068	38	111.4388	1.017	40	111.4388	1.017	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:2:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|O<1>}	H(C[5]C[5]N[5]H)	111.8270	0.000	1	111.4528	1.068	38	111.4388	1.017	40	111.4388	1.017	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,5a]N[5]H)	111.2480	0.047	2	111.2480	0.002	2	111.2480	0.002	2	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2980	0.025	5	111.2980	0.001	5	111.2980	0.001	5	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.1994	0.058	14	111.2128	0.004	16	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3070	0.006	2	111.2128	0.004	16	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4030	0.079	4	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,5|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3150	0.000	1	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4645	0.030	2	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3209	0.033	8	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3136	0.042	15	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3580	0.021	2	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.1540	0.037	8	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2420	0.000	1	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	109.4660	0.014	2	111.2151	0.161	43	111.2145	0.118	59	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|C<2>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	110.6810	0.017	2	110.6810	0.000	2	110.7480	0.008	5	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|Cl<1>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	110.9020	0.000	1	110.9020	0.000	1	110.7480	0.008	5	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	110.7380	0.013	2	110.7380	0.000	2	110.7480	0.008	5	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1455	0.033	2	111.1455	0.001	2	111.5452	1.668	18	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CNO){2|C<4>}	H(C[5]C[5]N[5]H)	111.2035	0.015	2	111.2035	0.000	2	111.5452	1.668	18	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.1315	0.026	2	111.1315	0.001	2	111.5452	1.668	18	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2370	0.221	8	111.2370	0.049	8	111.5452	1.668	18	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	112.5240	4.347	2	112.7390	6.883	4	111.5452	1.668	18	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO){1|O<1>}	H(C[5]C[5]N[5]H)	112.9540	1.252	2	112.7390	6.883	4	111.5452	1.668	18	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	N[5]-3:N[5]-3:Cl-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])2(Cl)(H)	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]N[5]2Cl)	C[5](N[5]C[6a]C[5])2(Cl)(H){2|O<1>,4|C<3>}	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	H(C[5]N[5]2Cl)	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	111.2523	0.434	90	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3){1|B<4>,1|C<3>,1|H<1>}	H(C[5]C[5,5]N[5]H)	111.5562	0.069	4	111.5562	0.005	4	111.5562	0.005	4	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH){1|C<3>,1|N<2>}	H(C[5]C[5,5a]N[5]H)	111.4735	0.026	2	111.4735	0.001	2	111.4735	0.001	2	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|N<3>}	H(C[5]C[5,6]N[5]H)	111.2115	0.008	2	111.1883	0.003	24	111.1908	0.003	26	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	H(C[5]C[5,6]N[5]H)	111.1957	0.057	18	111.1883	0.003	24	111.1908	0.003	26	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	H(C[5]C[5,6]N[5]H)	111.1435	0.049	4	111.1883	0.003	24	111.1908	0.003	26	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	H(C[5]C[5,6]N[5]H)	111.2215	0.030	2	111.2215	0.001	2	111.1908	0.003	26	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3323	0.033	4	111.3323	0.001	4	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3){2|C<3>}	H(C[5]C[5,6a]N[5]H)	109.4690	0.007	2	109.4690	0.000	2	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4326	0.816	26	111.4326	0.666	26	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2060	0.096	4	111.2060	0.009	4	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3070	0.000	1	111.3070	0.000	1	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2700	0.030	2	111.2700	0.001	2	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3577	0.047	4	111.3577	0.002	4	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2853	0.035	4	111.2853	0.001	4	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	H(C[5]C[5,6a]N[5]H)	111.3135	0.025	2	111.3135	0.001	2	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){1|C<3>,1|N<2>}	H(C[5]C[5,6a]N[5]H)	111.4640	0.013	2	111.4640	0.000	2	111.3002	0.479	51	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3756	0.038	7	111.3489	0.004	10	111.3489	0.004	10	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.2867	0.086	3	111.3489	0.004	10	111.3489	0.004	10	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5192	0.027	4	111.5192	0.001	4	111.4527	0.009	9	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5010	0.010	2	111.3994	0.010	5	111.4527	0.009	9	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3317	0.042	3	111.3994	0.010	5	111.4527	0.009	9	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.7495	2.452	2	111.7495	6.010	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]C[6])(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(H)2{2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0465	0.045	2	111.0465	0.002	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.6850	0.057	2	110.6850	0.003	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.8456	0.054	8	110.8456	0.003	8	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.8520	0.011	2	110.8520	0.000	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.5910	0.072	2	110.5910	0.005	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|O<1>}	H(C[5]C[5]N[5]H)	111.5485	0.005	2	111.5485	0.000	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3424	2.008	14	111.3746	0.979	78	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3652	0.765	40	111.3746	0.979	78	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|O<1>}	H(C[5]C[5]N[5]H)	111.5250	0.011	2	111.3746	0.979	78	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Pt<4>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Pt<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4975	0.039	2	111.3746	0.979	78	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Re<6>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Re<6>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3410	0.035	2	111.3746	0.979	78	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Zn<4>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Zn<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3939	0.053	18	111.3746	0.979	78	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1030	0.011	2	111.1030	0.000	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0860	0.000	1	111.2132	0.005	5	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2450	0.020	4	111.2132	0.005	5	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2595	0.102	4	111.2595	0.010	4	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2692	0.073	5	111.2692	0.005	5	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>}	H(C[5]C[5]N[5]H)	111.4935	0.083	4	111.4935	0.007	4	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	H(C[5]C[5]N[5]H)	111.5745	0.060	15	111.5745	0.004	15	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3){1|C<3>}	H(C[5]C[5]N[5]H)	111.4120	0.085	2	111.4120	0.007	2	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]H)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|H<1>}	H(C[5]C[5]N[5]H)	111.4845	0.047	4	111.4845	0.002	4	111.3305	0.637	139	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){2|C<3>}	H(C[5]C[5]N[5]H)	111.3328	0.120	6	111.3235	0.010	10	111.3235	0.010	10	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2670	0.066	2	111.3235	0.010	10	111.3235	0.010	10	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){3|C<3>}	H(C[5]C[5]N[5]H)	111.3520	0.033	2	111.3235	0.010	10	111.3235	0.010	10	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	111.0200	0.014	2	110.9610	0.017	7	110.9610	0.017	7	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.2110	0.000	1	110.9610	0.017	7	110.9610	0.017	7	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,7|C<3>}	H(C[5]C[5]N[5]H)	110.8690	0.017	4	110.9610	0.017	7	110.9610	0.017	7	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH){1|N<2>,1|N<3>,4|H<1>,5|C<3>}	H(C[5]N[5]2H)	111.2025	0.033	2	111.2025	0.001	2	111.2025	0.001	2	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3){1|H<1>,2|C<4>}	H(C[5]N[5]2H)	111.2165	0.023	2	111.2165	0.001	2	111.2310	0.000	4	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH){1|H<1>,2|C<4>}	H(C[5]N[5]2H)	111.2455	0.006	2	111.2455	0.000	2	111.2310	0.000	4	111.3077	0.434	264	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CC[6a]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CC[6a]O){1|H<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.5430	0.033	2	111.5430	0.001	2	111.4780	0.006	4	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,5]N[5]H)	111.4130	0.006	2	111.4130	0.000	2	111.4780	0.006	4	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]O)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5a]HH)2(CC[6a]O){1|C<3>,1|N<3>}	H(C[5]C[5,5a]N[5]H)	111.6865	0.011	2	111.6865	0.000	2	111.8025	0.031	8	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(COO)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5a]HH)2(COO){1|C<3>,1|N<3>}	H(C[5]C[5,5a]N[5]H)	111.6713	0.014	3	111.6713	0.000	3	111.8025	0.031	8	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]O)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(CC[6a]O){1|C<3>,1|N<3>}	H(C[5]C[5,5a]N[5]H)	111.9310	0.000	1	111.9310	0.000	1	111.8025	0.031	8	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(COO)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(COO){1|C<3>,1|N<3>}	H(C[5]C[5,5a]N[5]H)	112.0510	0.025	2	112.0510	0.001	2	111.8025	0.031	8	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]N[5]H)	111.4500	0.021	2	111.4500	0.000	2	111.0173	0.629	6	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,5a]N[5]H)	110.9030	0.352	2	110.9030	0.124	2	111.0173	0.629	6	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,5a]N[5]H)	110.6990	1.554	2	110.6990	2.416	2	111.0173	0.629	6	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	B[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	N[5](B[5]N[5,6]HH)(C[5]C[5,6]HH)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{3|H<1>,4|C<3>}	N[5](B[5]N[5,6]HH)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	110.9070	0.042	2	110.9070	0.002	2	111.8865	1.342	4	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	B[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	N[5](B[5]N[5,6]HO)(C[5]C[5,6]HH)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{1|O<2>,2|H<1>,4|C<3>}	N[5](B[5]N[5,6]HO)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	112.8660	0.431	2	112.8660	0.186	2	111.8865	1.342	4	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO){4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2945	0.057	4	111.2945	0.003	4	111.2945	0.003	4	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CCH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CCH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2790	0.046	4	111.2790	0.002	4	111.1960	0.006	12	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]O)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CC[6a]O){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.1552	0.034	4	111.1552	0.001	4	111.1960	0.006	12	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CRhC)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CRhC){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.1538	0.058	4	111.1538	0.003	4	111.1960	0.006	12	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|C<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	110.1195	0.196	2	110.7027	0.219	6	110.9508	0.224	10	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	110.9942	0.107	4	110.7027	0.219	6	110.9508	0.224	10	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,6a]N[5]H)	111.3230	0.017	4	111.3230	0.000	4	110.9508	0.224	10	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{2|Pd<3>,1|H<1>,4|C<3>}	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	110.5620	0.011	2	110.5620	0.000	2	110.5620	0.000	2	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1625	0.032	2	111.1625	0.001	2	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(CCO){2|C<4>}	H(C[5]C[5]N[5]H)	111.1963	0.050	3	111.1963	0.003	3	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1835	0.016	4	111.1835	0.000	4	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){2|H<1>}	H(C[5]C[5]N[5]H)	111.4385	0.006	2	111.4385	0.000	2	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	N[5](C[5]C[5]HH)2(CCO){2|H<1>}	H(C[5]C[5]N[5]H)	111.4540	0.084	4	111.4540	0.007	4	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]H)	111.4225	0.023	4	111.4225	0.001	4	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CNS){3|H<1>}	H(C[5]C[5]N[5]H)	114.6535	1.931	2	114.6535	3.729	2	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CSS){3|H<1>}	H(C[5]C[5]N[5]H)	109.4445	2.140	4	109.4445	4.580	4	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3678	0.041	4	111.3678	0.002	4	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4377	0.056	4	111.4377	0.003	4	111.3133	1.693	33	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4073	0.075	4	111.4073	0.006	4	111.3226	0.014	8	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2380	0.091	4	111.2380	0.008	4	111.3226	0.014	8	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[3,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	H(C[5]N[3,5]N[5]H)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[3,5]N[5]H)	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	B[6,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)2	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)2{1|H<1>,1|N<3>,3|C<4>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H){3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.1245	0.080	2	110.1245	0.006	2	110.1245	0.006	2	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2{3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3355	0.023	2	111.3355	0.001	2	111.3355	0.001	2	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,2|H<1>,2|N<3>}	H(C[5]N[5]2H)	111.6980	0.020	2	111.6980	0.000	2	111.6980	0.000	2	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5]O)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){1|O<1>,2|H<1>}	H(C[5]N[5]S[5]H)	110.9075	0.032	2	110.9075	0.001	2	110.9075	0.001	2	111.2666	0.750	100	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5975	0.046	2	111.5975	0.002	2	111.5607	0.003	4	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5240	0.008	2	111.5240	0.000	2	111.5607	0.003	4	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2{1|H<1>,4|C<3>}	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3){6|C<3>}	H(C[5]C[5,6a]N[5]H)	110.2865	0.018	2	110.2865	0.000	2	110.2865	0.000	2	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7095	0.006	2	110.7095	0.000	2	111.4281	0.859	12	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2945	0.032	2	111.2945	0.001	2	111.4281	0.859	12	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.6345	2.785	2	111.6345	7.758	2	111.4281	0.859	12	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3610	0.013	2	111.3610	0.000	2	111.4281	0.859	12	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC[6a]OO){3|C<3>}	H(C[5]C[5]N[5]H)	111.7845	0.086	4	111.7845	0.007	4	111.4281	0.859	12	111.3307	0.704	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:1:1:	5:4:3:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	Si[5]-5:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2{3|Cl<1>,1|H<1>,4|C<3>}	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6]N[5]H)	110.0410	0.008	2	110.0410	0.000	2	110.0410	0.000	2	110.0410	0.000	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:3:4:	4:	N[5]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO)	H(C[5]C[5]N[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H){2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]O)	111.4550	0.000	1	111.4550	0.000	1	111.4550	0.000	1	111.4550	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){4|C<3>}	H(C[5]C[5,6a]N[5]O)	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]O)	110.8670	0.000	1	110.8670	0.000	1	111.8815	2.310	4	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<3>,2|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,2|C<3>,2|N<2>}	H(C[5]C[5,6a]N[5]O)	112.2197	1.667	3	112.2197	2.779	3	111.8815	2.310	4	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]O)	111.8653	0.337	3	111.8653	0.113	3	111.8653	0.113	3	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.6870	0.000	1	109.6875	0.000	2	109.6875	0.000	2	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.6880	0.000	1	109.6875	0.000	2	109.6875	0.000	2	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[5]-4:B-3:	C[5]-4:	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C){1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]S[5])	106.7250	1.947	2	106.7250	3.792	2	106.7250	3.792	2	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	109.4295	0.074	2	109.3351	0.013	8	109.3351	0.013	8	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	109.3037	0.110	6	109.3351	0.013	8	109.3351	0.013	8	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O){3|H<1>,4|C<3>}	H(C[5]C[6a]N[5]S[5])	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])2(OC[5])(H)	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O)	H(C[5]N[5]2O)	C[5](N[5]C[6a]C[5])2(OC[5])(H){2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	H(C[5]N[5]2O)	110.4827	0.227	4	110.4827	0.052	4	110.4827	0.052	4	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:N[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])2(SS)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O)	H(C[5]N[5]2S)	C[5](N[5]C[6a]C[5])2(SS)(H){2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	H(C[5]N[5]2S)	110.5860	0.014	2	110.5860	0.000	2	110.5860	0.000	2	110.0394	2.544	27	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:4:	4:	C[5,6]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:S[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]O)	113.3450	0.000	1	113.3450	0.000	1	113.3450	0.000	1	111.1507	3.611	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	3:4:4:	4:	N[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(OC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO)	H(C[5]N[5]2O)	C[5](N[5]C[6a]C[5])2(OC)(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5]2O)	110.0535	0.011	2	110.0535	0.000	2	110.0535	0.000	2	111.1507	3.611	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:2:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.1735	0.029	2	110.4443	0.098	4	110.4443	0.098	4	109.9090	0.502	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:2:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.7150	0.004	2	110.4443	0.098	4	110.4443	0.098	4	109.9090	0.502	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:2:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO){1|N<3>,2|C<3>}	H(C[5]C[6a]N[5]S[5])	109.1953	0.148	3	109.1953	0.022	3	109.1953	0.022	3	109.9090	0.502	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]O)	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:2:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NC)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NC){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]O)	111.8590	0.000	1	111.8590	0.000	1	110.1506	2.646	5	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]O)	108.4645	0.579	2	109.7235	2.311	4	110.1506	2.646	5	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]O)	110.9825	0.508	2	109.7235	2.311	4	110.1506	2.646	5	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CCO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]O)	111.6100	0.000	1	111.6100	0.000	1	111.8400	0.106	2	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]O)	112.0700	0.000	1	112.0700	0.000	1	111.8400	0.106	2	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[5a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[6a]N[5]S[5])	110.0515	0.070	2	110.0515	0.005	2	110.0515	0.005	2	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]N[5]S[5])	108.1530	0.479	3	108.8711	0.457	12	108.8711	0.457	12	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5]C[6a]N[5]S[5])	109.2190	0.000	1	108.8711	0.457	12	108.8711	0.457	12	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5]C[6a]N[5]S[5])	109.2197	0.524	7	108.8711	0.457	12	108.8711	0.457	12	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5]C[6a]N[5]S[5])	108.2370	0.000	1	108.8711	0.457	12	108.8711	0.457	12	109.5881	1.553	23	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5,6]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	H(C[5]C[5,6]N[5]O)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]O)	109.6190	0.732	3	109.6190	0.536	3	109.7613	0.481	6	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH){2|C<3>}	H(C[5]C[5,6a]N[5]O)	109.4590	0.165	2	109.4590	0.027	2	109.7613	0.481	6	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]O)	110.7930	0.000	1	110.7930	0.000	1	109.7613	0.481	6	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[4]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]O)	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]N[5]O)	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>}	H(C[5]C[5]N[5]O)	110.7795	0.180	2	110.7795	0.033	2	109.1174	1.186	8	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Br<1>,1|O<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|S<2>}	H(C[5]C[5]N[5]O)	108.5640	0.000	1	108.7848	0.099	4	109.1174	1.186	8	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Cl<1>,1|O<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|S<2>}	H(C[5]C[5]N[5]O)	108.8583	0.340	3	108.7848	0.099	4	109.1174	1.186	8	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	H(C[5]C[5]N[5]O)	108.2200	0.000	1	108.2200	0.000	1	109.1174	1.186	8	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	H(C[5]C[5]N[5]O)	108.0210	0.000	1	108.0210	0.000	1	109.1174	1.186	8	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[6a]N[5]O[5])	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.4780	0.000	1	109.0533	0.541	7	109.0533	0.541	7	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.9390	0.000	1	109.0533	0.541	7	109.0533	0.541	7	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.9912	0.871	5	109.0533	0.541	7	109.0533	0.541	7	109.3463	0.741	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5,6a]HO)2(CNS)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HO)2(CNS){2|C<3>}	H(C[5]C[5,6a]N[5]O)	109.6870	0.100	2	109.6870	0.010	2	109.6870	0.010	2	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H)	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,6a]N[5]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5]O[5])	110.2270	0.382	2	110.2270	0.146	2	110.2270	0.146	2	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(CC[6a]O)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(CC[6a]O){3|C<3>}	H(C[5]C[6a]N[5]2)	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO){1|H<1>,5|C<3>}	H(C[5]C[6a]N[5]O[5])	109.9400	0.000	1	109.9400	0.000	1	110.3976	2.446	5	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.4030	0.000	1	109.4030	0.000	1	110.3976	2.446	5	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){1|O<1>,2|C<3>}	H(C[5]C[6a]N[5]O[5])	109.7660	0.000	1	111.4700	5.807	2	110.3976	2.446	5	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	113.1740	0.000	1	111.4700	5.807	2	110.3976	2.446	5	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.7050	0.000	1	109.7050	0.000	1	110.3976	2.446	5	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]S[5]H)(CCO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]S[5]H)(CCO){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]N[5]S[5])	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|Br<1>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	111.5330	0.000	1	108.9526	1.162	9	108.9526	1.162	9	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.7940	0.000	1	108.9526	1.162	9	108.9526	1.162	9	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.1285	0.490	2	108.9526	1.162	9	108.9526	1.162	9	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.4290	0.000	1	108.9526	1.162	9	108.9526	1.162	9	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.8900	0.490	4	108.9526	1.162	9	108.9526	1.162	9	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	H(C[5]C[6a]N[5]O[5])	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	H(C[5]C[6a]N[5]O[5])	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]N[5]S[5])	109.7930	0.000	1	109.3025	0.481	2	109.3025	0.481	2	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]N[5]S[5])	108.8120	0.000	1	109.3025	0.481	2	109.3025	0.481	2	109.5493	1.227	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	110.1165	0.157	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:3:	4:	N[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]C)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	110.1165	0.157	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:3:	4:	N[5]-3:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O)	H(C[5]C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O){1|C<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]N)	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	110.1165	0.157	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:3:	4:	N[5]-3:C[5]-3:N[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5])	H(C[5]N[5a]C[5]N[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5]){1|H<1>,8|C<3>}	H(C[5]N[5a]C[5]N[5])	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	110.1165	0.157	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3){4|C<3>}	H(C[5]C[5,6a]N[5]N)	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	111.2343	5.833	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,6a]S)2(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO)	H(C[5]N[5]2C)	C[5](N[5]C[5,6a]S)2(CCH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	H(C[5]N[5]2C)	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	111.2343	5.833	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	H(C[5]N[5]2C)	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	111.2343	5.833	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	111.2343	5.833	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:2:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]N[5]2)	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:S[5]-2:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(SC[6a]OO)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(SC[6a]OO){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	105.2530	0.000	1	105.2530	0.000	1	105.2530	0.000	1	109.2756	1.366	16	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.3120	0.527	3	109.7465	0.278	8	109.7465	0.278	8	109.2756	1.366	16	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	H(C[5]C[6a]N[5]2)	110.0950	0.006	2	109.7465	0.278	8	109.7465	0.278	8	109.2756	1.366	16	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.9487	0.480	3	109.7465	0.278	8	109.7465	0.278	8	109.2756	1.366	16	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|B<6>,1|C<4>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.4707	0.111	4	109.4707	0.012	4	109.3121	0.097	7	109.2756	1.366	16	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.1007	0.394	3	109.1007	0.155	3	109.3121	0.097	7	109.2756	1.366	16	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.8310	0.038	2	109.8310	0.001	2	109.8310	0.001	2	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.0160	0.000	1	109.0160	0.000	1	109.3700	0.251	2	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(COO)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.7240	0.000	1	109.7240	0.000	1	109.3700	0.251	2	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]C)	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(H){1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.3790	0.000	1	109.3790	0.000	1	109.6635	0.162	2	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[6a]N[5]2)	109.9480	0.000	1	109.9480	0.000	1	109.6635	0.162	2	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(O)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(O){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.6982	0.670	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	108.9163	0.397	3	108.9163	0.158	3	108.9163	0.158	3	109.1822	0.388	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.1822	0.388	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2)	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2)	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H)	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2)	H(C[5]C[5,5a]N[5]N)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,5a]N[5]N)	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]2H)(C[5]N[5]Rh)(C[5]C[5]H)	H(C[5]C[5,6a]2N[5])	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){1|Rh<6>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6a]2H)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,5|C<3>}	H(C[5]C[5,6a]2N[5])	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.6833	0.398	3	108.6833	0.158	3	108.6833	0.158	3	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.3390	0.000	1	109.4193	0.877	3	109.4193	0.877	3	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.0040	0.000	1	109.4193	0.877	3	109.4193	0.877	3	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.9150	0.000	1	109.4193	0.877	3	109.4193	0.877	3	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5a]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5]N)	108.0550	0.000	1	108.0550	0.000	1	108.9287	0.616	3	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5]N)	109.3655	0.295	2	109.3655	0.087	2	108.9287	0.616	3	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2120	0.000	1	110.2120	0.000	1	109.8095	0.324	2	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4070	0.000	1	109.4070	0.000	1	109.8095	0.324	2	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6]-3:S[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H)	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6]N[5]S[5])	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2620	0.440	2	109.2620	0.193	2	109.2620	0.193	2	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	109.3712	0.402	6	109.3712	0.161	6	109.3712	0.161	6	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO){5|C<3>}	H(C[5]C[6a]N[5]2)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[6a]N[5]S[5])	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	109.3585	0.480	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH){1|N<3>,5|C<3>}	H(C[5]C[5,6a]C[5]N[5])	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,3|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH){4|C<3>}	H(C[5]C[5,6a]C[6]N[5])	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.0610	0.000	1	108.9207	0.642	3	108.9207	0.642	3	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.3505	0.418	2	108.9207	0.642	3	108.9207	0.642	3	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.5720	0.000	1	109.6209	0.281	8	109.6209	0.281	8	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.4850	0.395	7	109.6209	0.281	8	109.6209	0.281	8	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	H(C[5]C[5,6a]N[5]N)	109.9080	0.000	1	110.0115	0.021	2	110.0115	0.021	2	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	H(C[5]C[5,6a]N[5]N)	110.1150	0.000	1	110.0115	0.021	2	110.0115	0.021	2	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]N)	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H)	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3)	H(C[5]C[5]N[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	H(C[5]C[5]N[5]2)	111.2690	1.780	2	111.2690	3.170	2	111.2690	3.170	2	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0690	0.000	1	109.0690	0.000	1	109.3423	0.241	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7370	0.000	1	109.7370	0.000	1	109.3423	0.241	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3580	0.000	1	109.3580	0.000	1	109.3423	0.241	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6565	0.436	2	109.6565	0.190	2	109.3423	0.241	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH){3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5770	0.000	1	108.5770	0.000	1	109.3423	0.241	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|Br<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	107.2760	0.000	1	107.2760	0.000	1	109.1583	1.155	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.2998	0.374	4	109.2998	0.140	4	109.1583	1.155	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3){3|C<3>}	H(C[5]C[6a]N[5]2)	110.4750	0.000	1	110.4750	0.000	1	109.1583	1.155	6	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[5]-3:S[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	110.0340	0.010	2	110.0340	0.000	2	110.0340	0.000	2	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(NHH)(H)	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3)	H(C[5]N[5]2N)	C[5](N[5]C[5]C)2(NHH)(H){2|O<1>}	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	H(C[5]N[5]2N)	109.4155	0.085	4	109.4155	0.007	4	109.4155	0.007	4	109.5153	0.794	44	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	109.1805	0.358	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	109.1805	0.358	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H){2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6780	0.894	2	109.6780	0.799	2	109.6780	0.799	2	109.1805	0.358	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.2897	0.532	3	109.2897	0.283	3	109.2897	0.283	3	109.1805	0.358	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	109.1805	0.358	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	110.4070	0.565	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){4|C<3>}	H(C[5]C[6a]C[5]N[5])	111.2920	0.000	1	111.2920	0.000	1	110.8670	0.319	3	110.4070	0.565	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	111.0830	0.000	1	110.6545	0.367	2	110.8670	0.319	3	110.4070	0.565	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2260	0.000	1	110.6545	0.367	2	110.8670	0.319	3	110.4070	0.565	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:S-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5]){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	110.4070	0.565	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N[5])	108.2020	0.000	1	108.6955	0.487	2	108.6955	0.487	2	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N[5])	109.1890	0.000	1	108.6955	0.487	2	108.6955	0.487	2	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	109.9150	0.491	2	109.9150	0.241	2	109.9150	0.241	2	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5850	0.000	1	108.5850	0.000	1	109.7003	1.149	6	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4170	0.000	1	109.6250	0.087	2	109.7003	1.149	6	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8330	0.000	1	109.6250	0.087	2	109.7003	1.149	6	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3275	0.284	2	109.3275	0.080	2	109.7003	1.149	6	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CClO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	111.7120	0.000	1	111.7120	0.000	1	109.7003	1.149	6	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[6a]N[5]2)	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	H(C[5]N[3,5]C[6a]N[5])	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	111.5080	0.000	1	110.6426	2.346	8	110.5286	1.746	11	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9320	1.264	3	110.6426	2.346	8	110.5286	1.746	11	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	111.0863	2.277	3	110.6426	2.346	8	110.5286	1.746	11	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5780	0.000	1	110.6426	2.346	8	110.5286	1.746	11	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	110.8820	0.000	1	110.8820	0.000	1	110.5286	1.746	11	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8960	0.069	2	109.8960	0.005	2	110.5286	1.746	11	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<4>,3|H<1>,7|C<3>}	H(C[5]C[6a]N[5]2)	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]N[5]2)	110.0310	0.045	2	110.0310	0.002	2	109.8257	0.128	3	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H){2|H<1>,7|C<3>}	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	H(C[5]C[6a]N[5]2)	109.4150	0.000	1	109.4150	0.000	1	109.8257	0.128	3	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)2(COO)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(COO)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<3>,2|H<1>}	H(C[5]N[5]2C)	111.1230	0.035	2	111.1230	0.001	2	111.2785	0.033	4	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)2(COO)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(COO)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS){1|C<3>,2|H<1>}	H(C[5]N[5]2C)	111.4340	0.004	2	111.4340	0.000	2	111.2785	0.033	4	110.0333	1.401	33	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)2(SC[6a]OO)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)2(SC[6a]OO){6|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.5290	1.027	2	109.5290	1.054	2	109.5290	1.054	2	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]N)	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(COO)(H){1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(SCOO){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	106.8750	0.000	1	108.4400	4.898	2	108.8533	2.962	3	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0050	0.000	1	108.4400	4.898	2	108.8533	2.962	3	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6800	0.000	1	109.6800	0.000	1	108.8533	2.962	3	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(NCH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)	H(C[5]N[5]2N)	C[5](N[5]C[5]C)2(NCH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3){1|C<4>,2|H<1>}	H(C[5]N[5]2N)	91.6042	0.021	2	91.6042	0.000	2	91.6042	0.000	2	105.7111	56.819	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:3:1:	6:4:3:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	B[5x3,4,9x5,6,6]-6:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C)	H(C[5]C[6a]N[5]2)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C){1|B<5>,1|C<4>,2|C<3>,3|B<6>,5|H<1>}	H(C[5]C[6a]N[5]2)	109.4745	0.072	4	109.4745	0.005	4	109.4745	0.005	4	109.4745	0.005	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.9354	0.228	21	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5])	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|N<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.5477	0.130	3	110.5477	0.017	3	110.5477	0.017	3	109.9354	0.228	21	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4610	0.000	1	109.8374	0.200	17	109.8374	0.200	17	109.9354	0.228	21	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7984	0.431	16	109.8374	0.200	17	109.8374	0.200	17	109.9354	0.228	21	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	H(C[5]C[5,5a]N[5]C)	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	H(C[5]C[5,6a]N[5]C)	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]O[5]O)	H(C[5]B[5]N[5]C)	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]O[5]O){1|C<4>,4|C<3>}	H(C[5]B[5]N[5]C)	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0420	0.000	1	110.0420	0.000	1	109.7202	0.817	6	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	108.5200	0.000	1	108.5200	0.000	1	109.7202	0.817	6	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2050	0.000	1	110.2050	0.000	1	109.7202	0.817	6	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	111.0750	0.000	1	111.0750	0.000	1	109.7202	0.817	6	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2395	0.086	2	109.2395	0.007	2	109.7202	0.817	6	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5]-3:C-4:H-1:	N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H)	N[5](N[5a]C[5a]2)(C[5]C[5]CH)(C[5]C[5]C)	H(C[5]C[5]N[5]C)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>}	N[5](N[5a]C[5a]2)(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,4|C<4>}	H(C[5]C[5]N[5]C)	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O)	H(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	H(C[5]N[5]2C)	106.1580	0.000	1	106.1580	0.000	1	106.1580	0.000	1	109.4607	1.624	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	H(C[5]C[5,6a]N[5]C)	110.0450	0.000	1	110.0450	0.000	1	109.8510	0.075	2	110.0760	0.397	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	H(C[5]C[5,6a]N[5]C)	109.6570	0.000	1	109.6570	0.000	1	109.8510	0.075	2	110.0760	0.397	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	110.0760	0.397	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]C)	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	110.0760	0.397	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:2:3:	4:	N[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H)	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO)	H(C[5]N[5,6]N[5]C)	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H){1|H<1>,2|C<3>}	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO){2|C<3>}	H(C[5]N[5,6]N[5]C)	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:2:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a])(SC[6a]OO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a])(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.2300	0.000	1	109.2300	0.000	1	109.6660	0.180	5	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.4020	0.000	1	109.4020	0.000	1	109.6660	0.180	5	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.7020	0.250	2	109.7020	0.063	2	109.6660	0.180	5	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	110.2940	0.000	1	110.2940	0.000	1	109.6660	0.180	5	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|N<2>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9320	0.000	1	108.9320	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|H<1>,1|N<3>}	H(C[5]C[5]N[5]C)	109.4255	0.336	2	109.4255	0.113	2	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1565	0.735	2	109.0973	0.280	3	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9790	0.000	1	109.0973	0.280	3	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9450	0.000	1	109.9450	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7575	0.276	2	109.5355	0.333	4	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,1|O<2>}	H(C[5]C[5]N[5]C)	109.3135	0.852	2	109.5355	0.333	4	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8413	0.319	3	109.8413	0.102	3	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.0770	0.000	1	109.0770	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7390	0.000	1	109.5415	0.078	2	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.3440	0.000	1	109.5415	0.078	2	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]CH)(C[5]N[5]N)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.1840	0.000	1	110.1840	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.3633	0.780	3	109.3633	0.609	3	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.0160	0.000	1	110.0160	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.5930	0.000	1	108.5930	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5990	0.222	2	109.5990	0.049	2	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|O<1>}	H(C[5]C[5]N[5]C)	110.1780	0.000	1	110.1780	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|O<1>}	H(C[5]C[5]N[5]C)	111.2600	2.205	4	111.2600	4.862	4	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|O<1>}	H(C[5]C[5]N[5]C)	109.7295	0.383	2	109.7295	0.146	2	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|O<1>}	H(C[5]C[5]N[5]C)	109.2350	0.000	1	109.2350	0.000	1	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]S[5]O)(H){1|O<1>}	H(C[5]C[5]N[5]C)	108.8620	0.554	2	108.8620	0.307	2	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]S[5]O)(H){1|O<1>}	H(C[5]C[5]N[5]C)	109.0165	0.032	2	109.0165	0.001	2	109.6377	0.974	37	109.6391	0.852	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.6780	0.000	1	109.6780	0.000	1	109.0900	0.395	3	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC){2|C<3>}	H(C[5]C[5,6a]N[5]C)	108.7960	0.520	2	108.7960	0.271	2	109.0900	0.395	3	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){1|O<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.8585	0.129	2	109.8057	0.017	3	109.8057	0.017	3	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7000	0.000	1	109.8057	0.017	3	109.8057	0.017	3	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H){7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0840	0.000	1	108.0840	0.000	1	109.2345	2.647	2	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3850	0.000	1	110.3850	0.000	1	109.2345	2.647	2	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.0745	0.353	2	110.0745	0.125	2	110.0745	0.125	2	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S[5])(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S[5])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8400	0.000	1	109.8400	0.000	1	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9505	0.288	2	109.6260	0.543	33	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1023	0.273	3	109.6260	0.543	33	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7810	0.000	1	109.6260	0.543	33	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5287	0.797	26	109.6260	0.543	33	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9230	0.000	1	109.6260	0.543	33	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3220	0.000	1	110.1325	0.296	4	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0693	0.648	3	110.1325	0.296	4	109.6849	0.519	38	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0070	0.000	1	109.0070	0.000	1	109.6083	0.309	3	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	110.1030	0.000	1	110.1030	0.000	1	109.6083	0.309	3	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|S<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7150	0.000	1	109.7150	0.000	1	109.6083	0.309	3	109.6846	0.516	53	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO){1|C<3>,1|N<2>}	H(C[5]C[5,5a]N[5]C)	106.0120	0.000	1	106.0120	0.000	1	106.0120	0.000	1	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	107.1820	0.000	1	107.1820	0.000	1	107.7395	0.622	2	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	108.2970	0.000	1	108.2970	0.000	1	107.7395	0.622	2	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|F<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|F<1>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	110.2360	0.000	1	109.7815	0.962	6	109.5550	0.866	8	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	108.8950	0.000	1	109.7815	0.962	6	109.5550	0.866	8	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	109.8895	1.121	4	109.7815	0.962	6	109.5550	0.866	8	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	108.8755	0.156	2	108.8755	0.024	2	109.5550	0.866	8	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.4950	0.000	1	109.4950	0.000	1	110.2682	0.458	4	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	110.5260	0.537	3	110.5260	0.289	3	110.2682	0.458	4	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]C)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9990	0.000	1	109.9990	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	109.5962	0.256	4	109.5962	0.066	4	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	109.7550	0.000	1	109.7550	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	109.0088	0.296	4	109.0088	0.088	4	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	109.6427	0.101	3	109.6427	0.010	3	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]O){1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]C)	108.5360	0.000	1	108.5360	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){1|H<1>,1|O<2>}	H(C[5]C[5]N[5]C)	110.2990	0.000	1	110.2990	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9370	0.503	2	109.9370	0.253	2	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.0065	0.138	2	110.0065	0.019	2	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8320	0.000	1	109.8320	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2320	0.000	1	110.2320	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9680	0.000	1	109.9680	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){1|H<1>}	H(C[5]C[5]N[5]C)	110.5460	0.000	1	110.5460	0.000	1	109.6697	0.268	23	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4700	0.000	1	109.6500	0.065	2	109.6500	0.065	2	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8300	0.000	1	109.6500	0.065	2	109.6500	0.065	2	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){2|O<2>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6680	0.000	2	108.6680	0.000	2	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3300	0.000	1	109.3300	0.000	1	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5880	0.000	1	109.3005	0.165	2	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0130	0.000	1	109.3005	0.165	2	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){4|C<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	105.7120	0.000	1	105.7120	0.000	1	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0180	0.000	1	109.2348	0.551	4	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8215	0.042	2	109.2348	0.551	4	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2780	0.000	1	109.2348	0.551	4	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6180	0.000	1	108.6180	0.000	1	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0800	0.000	1	108.3292	0.395	5	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1415	0.540	4	108.3292	0.395	5	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9480	0.000	1	109.9480	0.000	1	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]C)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]C){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8450	0.000	1	108.8450	0.000	1	108.7208	0.991	18	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1060	0.197	2	109.1060	0.039	2	109.1060	0.039	2	109.2881	0.985	63	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.5610	0.000	1	109.5610	0.000	1	109.6593	0.050	4	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.6920	0.262	3	109.6920	0.069	3	109.6593	0.050	4	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	110.2630	0.000	1	110.2630	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|H<1>,1|O<2>}	H(C[5]C[5]N[5]C)	109.5370	0.000	1	109.5370	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.2690	0.000	1	109.2690	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8590	0.000	1	109.8590	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7400	0.000	1	109.7400	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<2>}	H(C[5]C[5]N[5]C)	109.3030	0.000	1	109.3030	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9990	0.000	1	108.9990	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	108.7390	0.000	1	108.7390	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.5650	0.000	1	110.5650	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){1|O<1>}	H(C[5]C[5]N[5]C)	107.7190	0.000	1	107.7190	0.000	1	109.3993	0.655	10	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:B[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]B[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H){3|C<4>,4|C<3>,4|H<1>}	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|C<3>,2|H<1>,5|C<4>}	H(C[5]B[5]C[5]N[5])	105.5100	0.000	1	105.5100	0.000	1	107.0415	4.691	2	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:B[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]B[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<4>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]B[5]C[5]N[5])	108.5730	0.000	1	108.5730	0.000	1	107.0415	4.691	2	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[5]-3:C-4:H-1:	B[5,5a]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.4720	0.124	2	109.4720	0.015	2	109.4720	0.015	2	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[6]N[5]2)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H){4|C<3>,5|H<1>}	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6]N[5]2)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5190	0.000	1	109.5190	0.000	1	109.6857	0.081	4	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5130	0.000	1	109.5130	0.000	1	109.6857	0.081	4	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6040	0.000	1	109.6040	0.000	1	109.6857	0.081	4	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1070	0.000	1	110.1070	0.000	1	109.6857	0.081	4	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	H(C[5]N[5]2C)	110.0330	0.000	1	109.8909	0.093	9	109.8325	0.072	13	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5]2C)	109.9461	0.266	7	109.8909	0.093	9	109.8325	0.072	13	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|O<1>,2|C<3>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>}	H(C[5]N[5]2C)	109.3620	0.000	1	109.8909	0.093	9	109.8325	0.072	13	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC[6a]HH)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC[6a]HH)(H){2|O<1>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	H(C[5]N[5]2C)	109.7010	0.081	4	109.7010	0.007	4	109.8325	0.072	13	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	H(C[5]C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,2|N<3>,6|C<3>}	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	H(C[5]C[5]N[5]2)	111.0482	0.340	4	111.0482	0.116	4	111.0482	0.116	4	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	H(C[5]N[5a]C[5]N[5])	107.2820	0.000	1	107.2820	0.000	1	108.6185	3.572	2	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5a]C[5]N[5])	109.9550	0.000	1	109.9550	0.000	1	108.6185	3.572	2	109.6049	0.963	43	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]C)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	109.1644	0.300	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.7585	0.043	2	108.7585	0.002	2	109.0750	0.301	3	109.1644	0.300	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.7080	0.000	1	109.7080	0.000	1	109.0750	0.301	3	109.1644	0.300	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H)	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H){2|C<3>,2|H<1>,2|N<2>}	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|H<1>,2|P<4>}	H(C[5]C[6a]C[5]N[5])	109.4897	0.405	3	109.4897	0.164	3	109.4897	0.164	3	109.1644	0.300	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H)	H(C[5]N[5]2C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>}	H(C[5]N[5]2C)	109.5570	0.000	1	109.5570	0.000	1	109.3005	0.132	2	109.1644	0.300	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H)	H(C[5]N[5]2C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>}	H(C[5]N[5]2C)	109.0440	0.000	1	109.0440	0.000	1	109.3005	0.132	2	109.1644	0.300	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]N[5]C)	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)2(COO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(COO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	110.2440	0.000	1	110.2440	0.000	1	109.6560	0.691	2	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H)	N[5](C[5]C[5,6a]CH)2(COO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(COO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.0680	0.000	1	109.0680	0.000	1	109.6560	0.691	2	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.7050	0.330	2	110.7050	0.109	2	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.0500	0.000	1	111.0500	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8495	0.166	2	109.8495	0.028	2	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){3|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4760	0.000	1	109.4760	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.6765	0.248	2	110.6765	0.062	2	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CO)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|O<2>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]CO)(COO){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.6655	0.018	2	109.6655	0.000	2	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.9245	0.050	2	108.9245	0.003	2	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.6930	0.182	2	110.6930	0.033	2	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	H(C[5]C[5]N[5]C)	109.2470	0.072	2	109.2470	0.005	2	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	H(C[5]C[5]N[5]C)	109.6230	0.000	1	109.6230	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	H(C[5]C[5]N[5]C)	109.1546	0.849	8	109.1546	0.721	8	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	H(C[5]C[5]N[5]C)	108.9380	0.000	1	108.9380	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	H(C[5]C[5]N[5]C)	109.4790	0.000	1	109.4790	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	H(C[5]C[5]N[5]C)	109.7610	0.000	1	109.7610	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){1|O<1>}	H(C[5]C[5]N[5]C)	110.2100	0.000	1	110.2100	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	H(C[5]C[5]N[5]C)	109.7450	0.000	1	109.7450	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.3380	0.000	1	109.3380	0.000	1	109.6896	0.604	31	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4710	0.000	1	109.5423	0.004	3	109.5423	0.004	3	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5780	0.000	2	109.5423	0.004	3	109.5423	0.004	3	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9790	0.000	1	109.9790	0.000	1	109.7556	0.041	5	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6997	0.184	4	109.6997	0.034	4	109.7556	0.041	5	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5,5,6]C[5,6]2O[5,5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5,6]C[5,6]2O[5,5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0270	0.000	1	110.0270	0.000	1	110.0270	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5610	0.478	4	109.5610	0.228	4	109.5610	0.228	4	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[3]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[4]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6100	0.000	1	109.6100	0.000	1	109.6100	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7790	1.990	2	109.7928	1.812	6	109.6809	1.057	11	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3140	0.000	1	109.7928	1.812	6	109.6809	1.057	11	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	110.8285	0.670	2	109.7928	1.812	6	109.6809	1.057	11	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2280	0.000	1	109.7928	1.812	6	109.6809	1.057	11	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){6|C<3>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4702	0.639	4	109.4702	0.408	4	109.6809	1.057	11	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8520	0.000	1	109.8520	0.000	1	109.6809	1.057	11	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O){1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:P[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(P[5]N[5]2O)(C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(P[5]N[5]2O)(C[5]N[5]H){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[6a]C[5]N[5])	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5]C[6a]C[5]N[5])	109.1550	0.000	1	109.4255	0.146	2	109.8950	0.425	5	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	109.6960	0.000	1	109.4255	0.146	2	109.8950	0.425	5	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8390	0.051	2	110.2080	0.410	3	109.8950	0.425	5	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.9460	0.000	1	110.2080	0.410	3	109.8950	0.425	5	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[5]C[6a]N[5]S[5])	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)	H(C[5]N[5]2C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5]2C)	109.4990	0.000	1	109.4990	0.000	1	109.3080	0.073	2	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)	H(C[5]N[5]2C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5]2C)	109.1170	0.000	1	109.1170	0.000	1	109.3080	0.073	2	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>}	H(C[5]N[5]2C)	110.0197	0.105	6	110.0197	0.011	6	109.8334	0.334	8	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CClO)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]N[5]2C)	110.1270	0.000	1	110.1270	0.000	1	109.8334	0.334	8	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)2(CCCS)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CCCS)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<4>,2|H<1>}	H(C[5]N[5]2C)	108.4220	0.000	1	108.4220	0.000	1	109.8334	0.334	8	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5]-4:	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5]C[5]N[5]2)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	H(C[5]C[5]N[5]2)	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	109.7279	0.521	79	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<2>}	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	B[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|H<1>,2|H<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8395	0.072	6	110.8395	0.005	6	110.8395	0.005	6	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|S<2>,3|C<3>}	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7407	0.056	4	110.7407	0.003	4	110.7407	0.003	4	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.6725	0.022	2	110.6725	0.000	2	110.2184	3.822	13	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|N<2>,1|O<2>,3|C<3>}	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8928	0.047	4	110.8928	0.002	4	110.2184	3.822	13	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{4|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	106.0445	1.983	2	106.0445	3.934	2	110.2184	3.822	13	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5]N[5]H)	111.4780	0.000	1	111.3760	0.008	3	110.2184	3.822	13	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,3|C<3>}	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5]N[5]H)	111.3250	0.034	2	111.3760	0.008	3	110.2184	3.822	13	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|N<3>,3|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.8530	0.021	2	110.8530	0.000	2	110.2184	3.822	13	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9820	0.044	2	110.9820	0.002	2	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){1|P<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0595	0.186	2	111.0595	0.035	2	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.5760	0.000	1	110.2543	0.314	3	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.0935	0.688	2	110.2543	0.314	3	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8547	0.107	4	110.8184	0.010	7	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.7700	0.074	3	110.8184	0.010	7	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9340	0.006	2	110.9340	0.000	2	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5640	0.045	2	110.5640	0.002	2	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.3620	5.722	2	110.5278	8.103	6	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.2775	2.692	2	110.5278	8.103	6	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<3>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.9440	0.018	2	110.5278	8.103	6	110.6974	1.855	24	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.6670	0.031	2	110.6670	0.001	2	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Co<5>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Co<5>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2235	0.108	6	111.2235	0.012	6	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9205	0.037	2	111.1597	0.032	38	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Ni<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ni<4>,1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1212	0.200	12	111.1597	0.032	38	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1359	0.147	16	111.1597	0.032	38	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2960	0.031	2	111.1597	0.032	38	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.3342	0.105	6	111.1597	0.032	38	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<5>,3|C<3>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<5>,2|B<6>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2013	0.181	3	111.2013	0.033	3	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2670	0.048	3	111.3663	0.012	7	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.4408	0.069	4	111.3663	0.012	7	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3790	0.025	5	111.3790	0.001	5	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8350	0.123	6	110.8350	0.015	6	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2625	0.018	2	111.2625	0.000	2	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0805	0.032	2	111.0787	0.001	3	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0750	0.000	1	111.0787	0.001	3	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.5170	0.000	1	111.2417	0.024	18	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<3>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.5465	0.008	2	111.2417	0.024	18	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1420	0.043	9	111.2417	0.024	18	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.2437	0.093	6	111.2417	0.024	18	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<3>,3|C<3>}	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH){2|Ga<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4311	0.078	7	111.4311	0.006	7	111.1953	0.043	97	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.6355	0.026	2	111.6355	0.001	2	111.6355	0.001	2	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|P<4>,3|C<3>}	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|P<3>,3|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	109.7150	0.065	2	109.7150	0.004	2	109.7150	0.004	2	110.9870	0.751	149	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]H)	111.4065	0.019	2	111.4065	0.000	2	111.4065	0.000	2	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4055	0.021	2	111.4055	0.000	2	111.4055	0.000	2	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4036	0.070	10	111.4118	0.003	20	111.3972	0.005	23	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4199	0.046	10	111.4118	0.003	20	111.3972	0.005	23	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3000	0.054	3	111.3000	0.003	3	111.3972	0.005	23	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.4086	1.867	12	109.4086	3.485	12	109.4086	3.485	12	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-2:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9142	0.099	4	110.7071	0.072	7	110.7071	0.072	7	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-2:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.4310	0.041	3	110.7071	0.072	7	110.7071	0.072	7	110.7742	1.596	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<2>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6025	0.059	2	110.6025	0.003	2	110.6025	0.003	2	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5170	0.042	2	109.7377	1.741	6	109.7377	1.741	6	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	108.0800	0.672	2	109.7377	1.741	6	109.7377	1.741	6	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.6160	0.021	2	109.7377	1.741	6	109.7377	1.741	6	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Ir<8>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7820	0.040	2	110.8227	0.003	4	110.8227	0.003	4	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Rh<8>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8635	0.006	2	110.8227	0.003	4	110.8227	0.003	4	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2650	0.013	2	111.2650	0.000	2	111.2678	0.740	17	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3273	0.026	3	111.3273	0.001	3	111.2678	0.740	17	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.0960	0.653	2	109.0960	0.427	2	111.2678	0.740	17	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.5355	0.083	4	111.5355	0.007	4	111.2678	0.740	17	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	111.7843	0.104	6	111.7843	0.011	6	111.2678	0.740	17	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3855	0.009	2	111.3855	0.000	2	111.3855	0.000	2	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]C[5]Ir)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Ir<6>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]C[5]Ir){2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2955	0.169	2	111.2955	0.029	2	111.3168	0.020	6	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]N[5]Mg)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Mg<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]N[5]Mg){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4585	0.056	2	111.4585	0.003	2	111.3168	0.020	6	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	N[5](C[6]C[6]O[6])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	N[5](C[6]C[6]O[6])(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1965	0.005	2	111.1965	0.000	2	111.3168	0.020	6	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1624	0.112	5	111.1624	0.013	5	110.9187	0.051	27	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9005	0.016	4	110.9005	0.000	4	110.9187	0.051	27	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7422	0.076	4	110.7062	0.006	12	110.9187	0.051	27	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6882	0.074	8	110.7062	0.006	12	110.9187	0.051	27	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Li)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Li<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Li){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2145	0.004	4	111.2145	0.000	4	110.9187	0.051	27	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0295	0.015	2	111.0295	0.000	2	110.9187	0.051	27	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0430	0.014	2	111.0430	0.000	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9280	0.000	1	110.9015	0.082	11	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0290	0.000	1	110.9015	0.082	11	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6865	0.012	4	110.9015	0.082	11	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|F<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6515	0.026	2	110.9015	0.082	11	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|F<1>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3037	0.043	3	110.9015	0.082	11	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9045	0.036	2	110.9787	0.017	3	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.1270	0.000	1	110.9787	0.017	3	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.7870	0.066	2	110.7870	0.004	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0592	0.094	4	111.0592	0.009	4	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.5160	2.110	2	109.5160	4.452	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0160	0.059	2	111.0160	0.004	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	108.9470	0.839	2	110.6807	0.724	12	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1180	0.008	2	110.6807	0.724	12	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9815	0.073	4	110.6807	0.724	12	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0650	0.011	2	110.6807	0.724	12	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|F<1>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9910	0.028	2	110.6807	0.724	12	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1020	0.031	2	111.1020	0.001	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0855	0.011	2	111.0855	0.000	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0507	0.103	4	110.5808	0.638	6	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	109.6410	0.714	2	110.5808	0.638	6	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Li)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Li<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Li){1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	111.2900	0.045	2	111.2900	0.002	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9391	0.300	12	110.9391	0.090	12	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]N[5]H)	111.3580	0.047	2	111.3580	0.002	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.7040	0.910	4	109.7040	0.828	4	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2575	0.026	2	111.2575	0.001	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2625	0.038	4	111.3138	0.007	6	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4165	0.037	2	111.3138	0.007	6	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4712	0.057	4	111.4712	0.003	4	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<5>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2697	0.017	3	111.3276	0.010	10	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<6>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.3524	0.115	7	111.3276	0.010	10	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2109	0.128	7	111.2109	0.016	7	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3509	0.078	11	111.3093	0.010	15	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1950	0.056	4	111.3093	0.010	15	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2667	0.082	3	111.2027	0.006	34	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2114	0.099	14	111.2027	0.006	34	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.1490	0.014	2	111.2027	0.006	34	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1890	0.057	15	111.2027	0.006	34	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1617	0.129	8	111.1617	0.017	8	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2585	0.254	18	111.1755	0.195	54	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4435	0.005	2	111.1755	0.195	54	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3680	0.075	2	111.1755	0.195	54	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.5760	0.014	2	111.1755	0.195	54	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3700	0.006	2	111.1755	0.195	54	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0468	0.545	28	111.1755	0.195	54	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3161	0.054	7	111.3348	0.008	36	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3641	0.084	13	111.3348	0.008	36	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3566	0.102	8	111.3348	0.008	36	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2818	0.094	8	111.3348	0.008	36	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Cu)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cu<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Cu){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4946	0.104	7	111.4946	0.011	7	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4157	0.128	20	111.2966	0.022	113	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.5373	0.078	3	111.2966	0.022	113	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1989	0.082	8	111.2966	0.022	113	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2864	0.084	62	111.2966	0.022	113	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2974	0.078	12	111.2966	0.022	113	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0845	0.316	8	111.2966	0.022	113	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.5206	0.036	5	111.3549	0.009	46	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3347	0.078	41	111.3549	0.009	46	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.1474	0.069	9	111.2353	0.010	75	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0810	0.037	3	111.2353	0.010	75	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2278	0.092	8	111.2353	0.010	75	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2499	0.089	49	111.2353	0.010	75	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3347	0.065	6	111.2353	0.010	75	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|In<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3337	0.063	14	111.3337	0.004	14	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1756	0.591	20	111.2116	0.275	26	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.5315	0.006	2	111.2116	0.275	26	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2320	0.078	4	111.2116	0.275	26	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mg)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mg<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mg){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2640	0.004	2	111.2640	0.000	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mn<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1570	0.041	4	111.1570	0.002	4	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9915	0.005	2	111.2307	0.524	13	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2742	0.784	11	111.2307	0.524	13	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2863	0.115	7	111.1929	0.339	46	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.2217	1.268	6	111.1929	0.339	46	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3263	0.134	10	111.1929	0.339	46	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.5027	0.069	7	111.1929	0.339	46	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2974	0.109	16	111.1929	0.339	46	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2772	0.124	21	111.2504	0.012	33	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2057	0.070	8	111.2504	0.012	33	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1988	0.065	4	111.2504	0.012	33	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3206	0.201	7	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2878	0.094	8	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.1826	0.076	7	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1110	0.051	4	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4344	0.180	19	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3900	0.021	2	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3631	0.095	11	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4211	0.131	7	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2769	0.199	109	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4145	0.036	2	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3038	0.029	5	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4638	0.288	8	111.3095	0.037	189	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6879	0.738	8	111.0203	0.254	23	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1975	0.175	15	111.0203	0.254	23	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4930	0.066	4	111.2393	0.026	18	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1310	0.041	2	111.2393	0.026	18	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0970	0.040	6	111.2393	0.026	18	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2485	0.053	6	111.2393	0.026	18	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3425	0.267	6	111.3184	0.033	16	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3540	0.014	2	111.3184	0.033	16	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3740	0.141	4	111.3184	0.033	16	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2088	0.049	4	111.3184	0.033	16	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7729	0.510	7	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.2715	0.136	16	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3739	0.059	7	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2712	0.621	273	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|F<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4126	0.180	11	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.4310	0.048	2	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1758	0.816	60	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2420	0.010	3	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1280	0.000	1	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.8610	0.014	2	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2739	0.153	10	111.2517	0.382	392	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2572	0.063	4	111.1570	0.023	26	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.4655	0.036	2	111.1570	0.023	26	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0683	0.128	13	111.1570	0.023	26	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1763	0.059	7	111.1570	0.023	26	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1396	0.093	12	111.2109	0.014	36	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2383	0.122	20	111.2109	0.014	36	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2875	0.042	4	111.2109	0.014	36	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|U<8>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.3522	0.029	4	111.3522	0.001	4	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.4758	0.062	4	111.4317	0.007	7	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3730	0.078	3	111.4317	0.007	7	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.8057	1.813	31	111.8057	3.288	31	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.6585	0.012	2	111.6585	0.000	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.5840	0.105	2	111.4500	0.028	4	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3160	0.030	2	111.4500	0.028	4	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]Re)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|Re<6>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]Re){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.6610	0.058	2	111.6610	0.003	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]C){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.5651	1.521	15	109.5651	2.314	15	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]N){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6040	0.044	2	110.6040	0.002	2	111.2311	0.319	1390	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5306	0.208	7	110.5306	0.043	7	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){1|P<3>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.9435	0.835	2	110.7117	0.388	10	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9880	0.479	6	110.7117	0.388	10	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6510	0.008	2	110.7117	0.388	10	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.7150	1.229	4	109.9520	1.458	8	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.1890	1.320	4	109.9520	1.458	8	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.2013	0.093	4	110.2013	0.009	4	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.9714	0.665	14	110.0163	0.699	22	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.0948	1.125	8	110.0163	0.699	22	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8630	0.071	4	110.7490	0.023	7	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5970	0.025	3	110.7490	0.023	7	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6923	0.046	3	110.8043	0.435	7	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8882	0.920	4	110.8043	0.435	7	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5892	0.136	4	110.5892	0.019	4	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]W)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|W<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]W){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7458	0.081	4	110.7458	0.007	4	110.3811	0.558	73	111.1782	0.374	1527	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	B[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2	N[5](B[5]C[5]N[5])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	N[5](B[5]C[5]N[5])(C[5]C[5]HH)2{3|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.8780	0.026	4	110.8780	0.001	4	110.8780	0.001	4	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2{1|Ge<4>,1|C<3>,3|C<4>}	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Rh<4>,1|Rh<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.1970	0.112	3	111.2974	0.025	5	111.2974	0.025	5	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2{1|Ge<4>,1|C<3>,3|C<4>}	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){2|Ir<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.4480	0.008	2	111.2974	0.025	5	111.2974	0.025	5	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|B<4>,1|C<3>,3|C<4>}	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|F<1>,1|N<3>,2|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.1280	0.074	2	111.1280	0.005	2	111.1280	0.005	2	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6890	0.096	2	110.6890	0.009	2	110.6890	0.009	2	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Ni<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1090	0.095	4	111.1090	0.009	4	111.1090	0.009	4	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2332	0.042	4	111.2332	0.002	4	111.1780	0.005	27	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,1|N<2>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1880	0.069	4	111.1699	0.005	15	111.1780	0.005	27	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2061	0.042	7	111.1699	0.005	15	111.1780	0.005	27	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0883	0.044	4	111.1699	0.005	15	111.1780	0.005	27	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|S<2>,4|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1656	0.082	8	111.1656	0.007	8	111.1780	0.005	27	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[5,6]C[6])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[6]C[5,6]C[6])(C[5]C[5]HH)2{1|Fe<10>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0842	0.152	4	111.0842	0.023	4	111.1575	0.013	10	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]N[6])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	N[5](C[6]C[6]N[6])(C[5]C[5]HH)2{2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.2063	0.050	6	111.2063	0.003	6	111.1575	0.013	10	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1220	0.104	4	111.0298	0.051	5	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6610	0.000	1	111.0298	0.051	5	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9938	0.089	6	110.9938	0.008	6	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2{1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0592	0.044	4	111.0592	0.002	4	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0999	0.133	33	111.0999	0.018	33	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0480	0.167	7	111.0480	0.028	7	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]C[5]N[5]H)	110.9188	0.055	8	110.9428	0.024	12	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|N<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2315	0.009	2	110.9428	0.024	12	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5]N[5]H)	110.7505	0.019	2	110.9428	0.024	12	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.2620	0.000	1	111.2620	0.000	1	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9585	0.011	2	110.9262	0.017	18	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.9431	0.145	12	110.9262	0.017	18	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.8595	0.095	4	110.9262	0.017	18	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<2>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0675	0.038	4	110.6965	0.506	49	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0850	0.074	4	110.6965	0.506	49	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.7863	0.611	33	110.6965	0.506	49	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	109.9466	0.957	8	110.6965	0.506	49	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2880	0.004	2	111.2880	0.000	2	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0859	0.094	23	110.9215	1.362	48	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.7702	1.616	25	110.9215	1.362	48	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0715	0.043	4	111.0879	0.011	29	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1112	0.112	9	111.0879	0.011	29	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0788	0.115	16	111.0879	0.011	29	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,4|H<1>}	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2548	0.071	4	111.2548	0.005	4	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2115	0.012	2	111.2115	0.000	2	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3730	0.047	3	111.3730	0.002	3	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4540	0.041	2	111.4540	0.002	2	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<4>,2|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4765	0.005	2	111.4765	0.000	2	110.9610	0.430	227	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5943	0.065	4	110.5943	0.004	4	110.5091	0.010	8	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]NW)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,1|W<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]NW){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.4240	0.025	4	110.4240	0.001	4	110.5091	0.010	8	110.9815	0.353	289	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:3:	4:	N[5]-3:C[5]-4:Cl-1:H-1:	C[5]-4:C[6a]-3:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H)	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl)	H(C[5]C[5]N[5]Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H){1|Cl<1>,3|C<3>}	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]Cl)	118.0900	0.948	2	118.0900	0.898	2	118.0900	0.898	2	112.3294	6.630	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3830	0.047	3	111.3830	0.002	3	111.2820	0.023	11	112.3294	6.630	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Rh)(N[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Rh)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2441	0.161	8	111.2441	0.026	8	111.2820	0.023	11	112.3294	6.630	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	B[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2	N[5](B[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[5](B[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	111.0490	0.010	2	111.0490	0.000	2	111.0490	0.000	2	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2{2|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0595	0.019	2	111.0595	0.000	2	111.0820	0.060	24	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]C[5]N[5]H)	111.1527	0.151	4	110.9588	0.040	14	111.0820	0.060	24	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	110.8812	0.163	10	110.9588	0.040	14	111.0820	0.060	24	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|O<2>,4|C<3>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5]N[5]H)	111.1485	0.145	4	111.1485	0.021	4	111.0820	0.060	24	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4578	0.032	4	111.4578	0.001	4	111.0820	0.060	24	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8856	0.126	14	110.8856	0.016	14	110.8311	0.036	16	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,8|H<1>}	H(C[5]C[5]N[5]H)	110.4495	0.022	2	110.4495	0.000	2	110.8311	0.036	16	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0683	0.097	4	111.0683	0.009	4	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	110.8680	0.037	2	110.8680	0.001	2	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[5]C[5]N[5]H)	110.1925	0.042	2	110.1925	0.002	2	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){5|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.5510	0.000	1	110.5510	0.000	1	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9375	0.030	2	110.9375	0.001	2	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0500	0.000	1	111.0500	0.000	1	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0840	0.086	2	111.0840	0.007	2	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.6110	0.000	1	111.6110	0.000	1	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.5895	0.476	2	110.5895	0.226	2	110.8722	0.143	17	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Ga[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.0505	0.026	2	110.0505	0.001	2	109.9610	0.011	4	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Ga[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Ga<4>,2|C<3>,2|C<4>}	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|N<3>,1|N<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	109.8715	0.013	2	109.8715	0.000	2	109.9610	0.011	4	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[3,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2{1|P<2>,4|C<3>}	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.3767	0.020	3	110.3767	0.000	3	110.3767	0.000	3	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.3155	0.011	2	110.3155	0.000	2	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pd<5>,4|C<3>}	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.2918	0.140	16	110.2918	0.020	16	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ni<4>,3|C<3>}	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1075	1.894	2	110.0170	2.786	4	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ni<4>,3|C<3>}	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	108.9265	0.108	2	110.0170	2.786	4	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|O<1>,3|C<3>}	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6910	0.068	4	110.6910	0.005	4	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Pt<4>,3|C<3>}	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.6770	0.273	2	109.6770	0.074	2	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,1|O<1>,3|C<3>}	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.2707	1.124	4	110.2707	1.262	4	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.5016	3.371	12	109.5657	8.756	16	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.7583	1.432	4	109.5657	8.756	16	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,1|F<1>,3|C<3>}	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.1395	0.926	2	109.8860	0.583	4	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,1|F<1>,3|C<3>}	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.6325	0.797	2	109.8860	0.583	4	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,1|Pt<4>,3|C<3>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.9287	0.441	8	109.9287	0.194	8	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2{1|S<1>,3|C<3>}	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.8522	0.169	8	110.8522	0.028	8	110.1090	2.377	68	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.2417	0.059	4	110.2417	0.004	4	110.2077	0.003	10	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,3|C<3>}	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.1823	0.052	3	110.1823	0.003	3	110.2077	0.003	10	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.1877	0.038	3	110.1877	0.001	3	110.2077	0.003	10	110.4629	1.319	144	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2{2|N<2>}	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(H){2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.9305	0.006	2	110.9305	0.000	2	109.6745	1.106	13	109.6745	1.106	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2{2|N<2>}	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H){2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	109.4462	0.977	11	109.4462	0.955	11	109.6745	1.106	13	109.6745	1.106	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C){8|H<1>}	H(C[5]C[5]N[5]H)	110.7937	0.064	3	110.7937	0.004	3	111.0564	0.132	5	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4505	0.029	2	111.4505	0.001	2	111.0564	0.132	5	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[3x6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(H)2	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,4|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.0935	0.011	2	111.0935	0.000	2	111.2952	0.048	6	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[3x6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<3>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.2245	0.029	2	111.3960	0.040	4	111.2952	0.048	6	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[3x6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.5675	0.035	2	111.3960	0.040	4	111.2952	0.048	6	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2620	0.054	2	111.2620	0.003	2	111.2620	0.003	2	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9810	0.006	2	110.9810	0.000	2	110.8119	0.884	20	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CHO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0340	0.006	2	111.0340	0.000	2	110.8119	0.884	20	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]O){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5]N[5]H)	111.1917	0.049	4	111.1917	0.002	4	110.8119	0.884	20	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2797	0.158	6	111.2797	0.025	6	110.8119	0.884	20	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	108.3420	1.539	2	109.9603	2.054	6	110.8119	0.884	20	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.8725	0.030	2	109.9603	2.054	6	110.8119	0.884	20	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5]N[5]H)	110.6665	0.026	2	109.9603	2.054	6	110.8119	0.884	20	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]O){1|S<2>,3|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	110.9965	0.008	2	110.9965	0.000	2	110.0540	1.945	31	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO){3|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	109.9230	1.494	25	109.9230	2.231	25	110.0540	1.945	31	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO){2|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5]N[5]H)	109.6785	0.097	2	110.4017	0.701	4	110.0540	1.945	31	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO){3|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.1250	0.011	2	110.4017	0.701	4	110.0540	1.945	31	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,7|C<4>}	H(C[5]C[5]N[5]H)	111.2835	0.005	2	111.2835	0.000	2	111.2835	0.000	2	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[4]-3:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[4]C[4]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[4]C[4]2){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0893	0.154	4	111.0893	0.024	4	111.0893	0.024	4	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9080	0.027	2	110.9080	0.001	2	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.9907	0.062	3	110.8477	0.394	50	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.1579	1.243	8	110.8477	0.394	50	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9823	0.063	4	110.8477	0.394	50	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.9833	0.377	28	110.8477	0.394	50	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9453	0.151	4	110.8477	0.394	50	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|B<4>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.9687	0.010	3	110.8477	0.394	50	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]N[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]N[6]2){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0323	0.053	3	111.0323	0.003	3	110.8599	0.359	55	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0440	0.059	2	111.0901	0.003	8	111.1161	0.005	11	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.1650	0.028	2	111.0901	0.003	8	111.1161	0.005	11	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.0990	0.016	2	111.0901	0.003	8	111.1161	0.005	11	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.0525	0.008	2	111.0901	0.003	8	111.1161	0.005	11	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.2480	0.000	1	111.2480	0.000	1	111.1161	0.005	11	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]Ru){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.1540	0.023	2	111.1540	0.001	2	111.1161	0.005	11	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.1277	0.150	6	111.1277	0.023	6	111.1277	0.023	6	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0914	0.233	10	111.0914	0.054	10	111.2687	0.514	22	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[6]C[6]2Ru)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|Ru<9>,1|C<3>,2|C<4>}	N[5](C[6]C[6]2Ru)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	111.3025	0.059	2	111.3025	0.003	2	111.2687	0.514	22	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0860	0.301	4	111.0860	0.091	4	111.2687	0.514	22	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.6905	0.035	2	111.6905	0.001	2	111.2687	0.514	22	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.6670	1.692	4	111.6670	2.864	4	111.2687	0.514	22	110.8211	0.818	164	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.1560	0.000	1	111.1560	0.000	1	111.1560	0.000	1	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0778	0.302	5	111.0778	0.091	5	111.1024	0.063	7	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.1640	0.013	2	111.1640	0.000	2	111.1024	0.063	7	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.6680	0.000	1	111.0463	0.107	3	111.0463	0.107	3	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.2355	0.009	2	111.0463	0.107	3	111.0463	0.107	3	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<4>,1|C<3>,1|C<4>}	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	109.7515	0.006	2	109.7515	0.000	2	110.2764	0.111	15	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.2980	0.022	4	110.2980	0.000	4	110.2764	0.111	15	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.3834	0.335	9	110.3834	0.112	9	110.2764	0.111	15	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2{2|C<4>,2|P<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8720	0.628	8	110.8720	0.394	8	110.8720	0.394	8	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2{1|Si<4>,1|C<4>,1|N<3>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(C[5]C[5]N[5]H)	110.0675	0.050	4	110.0675	0.003	4	110.0675	0.003	4	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2{1|C<4>,2|N<3>}	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3){1|H<1>,2|N<2>,4|C<4>}	H(C[5]C[5]N[5]H)	109.1385	0.008	2	109.1385	0.000	2	109.1385	0.000	2	110.5490	0.378	41	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	6:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2{2|N<3>,2|O<2>,3|C<3>}	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	H(C[5]C[5]N[5]H)	109.9417	0.181	7	109.9417	0.033	7	109.9417	0.033	7	109.9417	0.033	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:1:1:	6:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2{1|C<6>,1|O<1>,2|H<1>,4|B<6>}	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O){1|C<6>,4|B<6>,9|H<1>}	H(C[5]C[5]N[5]H)	110.9623	0.030	3	110.9623	0.001	3	110.9623	0.001	3	110.9623	0.001	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.1400	2.554	2	109.1400	6.523	2	109.1400	6.523	2	109.1400	6.523	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O)	H(C[5]C[5]N[5]O)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]O)	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]O)	110.8335	0.063	2	110.8335	0.004	2	110.6848	0.181	12	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]O)	110.5140	0.000	1	110.5140	0.000	1	110.6848	0.181	12	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]O)	110.9153	0.396	4	110.6675	0.346	6	110.6848	0.181	12	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]O)	110.1720	0.723	2	110.6675	0.346	6	110.6848	0.181	12	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]O)	110.8515	0.026	2	110.8515	0.001	2	110.6848	0.181	12	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]O)	110.3290	0.000	1	110.3290	0.000	1	110.6848	0.181	12	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	108.8433	0.170	6	108.9788	0.084	8	108.9788	0.084	8	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	109.3850	0.000	2	108.9788	0.084	8	108.9788	0.084	8	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	110.0940	0.000	2	110.0940	0.000	2	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	109.7827	0.006	3	109.8624	0.145	5	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	109.9820	0.730	2	109.8624	0.145	5	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]O[5])	111.4600	0.000	1	107.5837	14.260	10	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]O[5])	108.9440	0.000	1	107.5837	14.260	10	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]O[5])	109.0170	0.413	4	107.5837	14.260	10	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]O[5])	101.2046	3.982	2	107.5837	14.260	10	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]O[5])	107.0820	0.000	1	107.5837	14.260	10	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]O[5])	109.8740	0.000	1	107.5837	14.260	10	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]O[5])	107.8470	0.000	1	107.8470	0.000	1	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	109.3150	0.000	1	109.3150	0.000	1	108.5526	8.484	19	109.3154	4.880	40	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H){1|C<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	110.2025	0.052	2	110.2025	0.003	2	110.2025	0.003	2	109.5784	1.024	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:4:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]O)	108.7620	0.000	1	108.7620	0.000	1	109.1623	1.398	3	109.5784	1.024	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	3:4:4:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]O)	109.3625	1.599	2	109.3625	2.556	2	109.1623	1.398	3	109.5784	1.024	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	4:4:3:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){2|H<1>}	H(C[5]N[5]O[5]C)	109.7055	0.729	2	109.7055	0.531	2	109.8983	0.377	3	109.7905	0.298	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	4:4:3:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO){1|C<3>,1|H<1>}	H(C[5]N[5]O[5]C)	110.2840	0.000	1	110.2840	0.000	1	109.8983	0.377	3	109.7905	0.298	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	4:4:3:	4:	N[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO){2|H<1>}	H(C[5]N[5]S[5]C)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.7905	0.298	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:2:1:	4:4:4:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.7160	0.000	1	109.7160	0.000	1	110.9063	3.077	9	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.4823	3.210	3	110.4823	10.304	3	110.9063	3.077	9	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|Br<1>,1|C<3>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.8000	0.000	1	110.8000	0.000	1	110.9063	3.077	9	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	111.3110	0.000	1	111.3110	0.000	1	110.9063	3.077	9	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]CC)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]N[5]CC)(COO)(H){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.4350	0.305	2	111.4350	0.093	2	110.9063	3.077	9	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	112.0130	0.000	1	112.0130	0.000	1	110.9063	3.077	9	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5]){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	111.0340	0.000	1	111.0340	0.000	1	110.9215	0.025	2	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H){1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5]){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.8090	0.000	1	110.8090	0.000	1	110.9215	0.025	2	110.9091	2.464	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO){3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	109.2932	0.322	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	109.2932	0.322	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.1620	0.000	1	110.1620	0.000	1	109.7387	0.134	3	109.2932	0.322	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	109.5270	0.000	2	109.5270	0.000	2	109.7387	0.134	3	109.2932	0.322	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){4|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	109.2932	0.322	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	109.0595	2.714	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C[5]-4:B-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	H(C[5]C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]B)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.0595	2.714	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	110.3180	0.266	2	110.3180	0.071	2	110.3180	0.071	2	109.0595	2.714	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4595	0.029	2	109.4595	0.001	2	109.4595	0.001	2	109.4595	0.001	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	110.1250	0.000	1	110.1250	0.000	1	109.8744	0.346	9	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	109.5730	0.276	2	109.5730	0.076	2	109.8744	0.346	9	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	110.3170	0.000	1	110.3170	0.000	1	109.8744	0.346	9	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	110.1700	0.673	3	110.1700	0.453	3	109.8744	0.346	9	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	108.8350	0.000	1	108.8350	0.000	1	109.8744	0.346	9	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	109.9370	0.000	1	109.9370	0.000	1	109.8744	0.346	9	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){5|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	106.1925	4.337	7	106.1925	18.814	7	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7723	0.275	6	109.7723	0.075	6	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4990	0.000	1	110.4990	0.000	1	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0470	0.000	1	109.7903	0.378	40	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8027	1.397	3	109.7903	0.378	40	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2260	0.000	1	109.7903	0.378	40	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|Cl<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6570	0.000	1	109.7903	0.378	40	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8316	0.515	34	109.7903	0.378	40	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6010	0.000	1	109.6010	0.000	1	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1095	0.643	4	110.1095	0.413	4	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8760	0.000	1	110.1227	0.206	3	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2460	0.566	2	110.1227	0.206	3	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2050	0.000	1	110.2050	0.000	1	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3910	0.000	1	110.0695	0.207	2	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7480	0.000	1	110.0695	0.207	2	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9384	1.007	19	109.9384	1.014	19	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4150	0.000	1	110.4150	0.000	1	109.5775	2.825	85	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H)	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO)	H(C[5]N[5,6]C[5]N[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]N[5])	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	109.6280	2.607	95	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H){1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	110.6090	0.132	2	110.6090	0.017	2	110.6090	0.017	2	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5930	0.000	1	110.5930	0.000	1	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2160	0.000	1	108.8380	0.286	2	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4600	0.000	1	108.8380	0.286	2	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1305	0.284	2	108.1305	0.080	2	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0380	0.458	2	109.0380	0.210	2	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8550	0.442	5	108.8550	0.195	5	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6115	0.169	2	109.6115	0.029	2	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6130	0.000	1	109.4348	0.264	5	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3902	0.582	4	109.4348	0.264	5	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0550	0.000	1	109.0550	0.000	1	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8150	0.000	1	109.8150	0.000	1	109.1499	0.427	21	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9530	0.304	4	108.9530	0.092	4	109.1289	0.235	7	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O){1|C<4>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9010	0.000	1	108.9010	0.000	1	109.1289	0.235	7	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(O){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5945	0.723	2	109.5945	0.523	2	109.1289	0.235	7	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(H)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(H){2|N<2>,4|H<1>}	H(C[5]N[5a]C[5]N[5])	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	109.3153	0.533	32	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC){1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.8648	0.236	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	109.8648	0.236	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(OC)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(OC){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	109.8648	0.236	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	109.8648	0.236	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:2:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	109.8648	0.236	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H){1|N<3>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N[5])	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H){1|N<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5a]C[5]N[5])	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3130	0.000	1	109.3130	0.000	1	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	109.4158	1.033	5	109.4158	1.067	5	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	108.9517	0.482	3	108.9517	0.232	3	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	108.6220	0.000	1	108.6220	0.000	1	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0035	0.517	4	110.0035	0.268	4	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8468	0.366	11	109.8468	0.134	11	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[3]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[3]O){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0024	0.385	10	110.0024	0.148	10	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[5]O){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9510	0.518	2	109.9510	0.268	2	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7210	0.000	1	109.7210	0.000	1	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]S[5]O)(CC[5,6]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]S[5]O)(CC[5,6]O){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4820	0.000	1	109.4820	0.000	1	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O){1|H<1>,2|N<2>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0500	0.000	1	110.0500	0.000	1	109.7344	0.350	40	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(SCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(SCO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9350	0.000	1	108.9350	0.000	1	108.3965	0.580	2	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	107.8580	0.000	1	107.8580	0.000	1	108.3965	0.580	2	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]N[5,5]C[5]H)(C[5]C[5,6a]O)2	H(C[5]N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	N[5](C[5]N[5,5]C[5]H)(C[5]C[5,6a]O)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]N[5])	109.4230	0.000	1	109.4230	0.000	1	109.5647	0.051	3	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]N[5,5]C[5]H)(C[5]C[5]O)2	H(C[5]N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	N[5](C[5]N[5,5]C[5]H)(C[5]C[5]O)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,5]C[5]N[5])	109.6355	0.267	2	109.6355	0.071	2	109.5647	0.051	3	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]N[5,6]C[5]H)(C[5]C[5,6a]O)2	H(C[5]N[5,6]C[5]N[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,2|O<1>,7|C<3>}	N[5](C[5]N[5,6]C[5]H)(C[5]C[5,6a]O)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]N[5])	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1	109.5867	0.649	50	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5,6a]C[5]N[5])	109.8390	0.455	3	109.8390	0.207	3	109.8390	0.207	3	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]N[5])	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[6]N[5])	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	109.4850	0.249	2	109.4850	0.062	2	110.0803	1.094	3	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	111.2710	0.000	1	111.2710	0.000	1	110.0803	1.094	3	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7910	0.000	1	109.7910	0.000	1	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0220	0.000	1	110.0220	0.000	1	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.8100	0.000	1	110.8100	0.000	1	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	111.3420	1.184	2	111.3420	1.401	2	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9543	0.139	4	108.9543	0.019	4	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4775	0.419	2	109.4775	0.176	2	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8157	0.361	3	108.8157	0.131	3	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4830	0.000	1	109.4830	0.000	1	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4890	0.110	3	108.4890	0.012	3	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	106.4790	0.000	1	108.7767	4.007	3	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|S<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9255	0.309	2	108.7767	4.007	3	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7254	0.384	5	108.7254	0.148	5	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.8710	0.000	1	108.7345	1.491	2	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5980	0.000	1	108.7345	1.491	2	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4330	0.000	1	109.4330	0.000	1	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0190	0.148	2	108.9235	0.229	11	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1647	0.292	4	108.9235	0.229	11	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5910	0.000	1	108.9235	0.229	11	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9660	0.000	1	108.9235	0.229	11	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5670	0.000	1	108.9235	0.229	11	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1685	0.310	2	108.9235	0.229	11	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4400	0.008	2	109.4977	0.010	3	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6130	0.000	1	109.4977	0.010	3	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1630	0.150	2	109.1630	0.022	2	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8510	0.000	1	109.4470	1.098	5	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5960	1.147	4	109.4470	1.098	5	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Pd)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Pd)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3715	0.916	2	108.3715	0.839	2	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Ru)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Ru)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3335	0.111	2	110.3335	0.012	2	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3130	0.000	1	109.3130	0.000	1	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7410	0.000	1	109.7410	0.000	1	109.1966	0.775	56	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7250	0.000	1	109.7250	0.000	1	109.7245	0.000	2	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7240	0.000	1	109.7240	0.000	1	109.7245	0.000	2	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:P[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H)	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3)	H(C[5]C[6a]N[5]P[5])	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|W<6>,2|C<3>}	H(C[5]C[6a]N[5]P[5])	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H){2|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5]N[5]C)	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	H(C[5]C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	H(C[5]C[5]N[5]N)	109.0600	0.389	2	109.0600	0.151	2	109.5512	1.054	4	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	H(C[5]C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	H(C[5]C[5]N[5]N)	110.0425	1.430	2	110.0425	2.046	2	109.5512	1.054	4	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C[5]-4:Si-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]Si)	93.9950	0.101	2	93.9950	0.010	2	93.9950	0.010	2	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(SC[6a]OO)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|H<1>,5|C<3>}	N[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]N[5])	109.0760	0.000	1	108.9843	0.007	3	108.9843	0.007	3	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(SC[6a]OO)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	N[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]N[5])	108.9385	0.025	2	108.9843	0.007	3	108.9843	0.007	3	108.9443	6.789	78	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(H){1|Cd<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5]C[6]N[5]2)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.9100	0.263	2	107.4510	0.667	3	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.5330	0.000	1	107.4510	0.667	3	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|Si<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0180	0.000	1	107.3200	0.974	2	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.6220	0.000	1	107.3200	0.974	2	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.2110	0.000	2	107.4670	0.197	3	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.9790	0.000	1	107.4670	0.197	3	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|F<1>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0620	0.000	1	108.7055	0.664	4	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9200	0.849	3	108.7055	0.664	4	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|P<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0250	0.000	1	109.0250	0.000	1	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5670	0.686	2	108.5670	0.470	2	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H){1|P<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|P<4>}	H(C[5]C[6a]C[5]N[5])	107.5850	0.000	1	107.5850	0.000	1	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4690	0.000	1	109.4690	0.000	1	108.0841	0.859	17	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6190	0.000	1	109.6190	0.000	1	107.9755	5.402	2	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	106.3320	0.000	1	106.3320	0.000	1	107.9755	5.402	2	108.1518	1.134	20	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:Ga[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H)	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H){1|Ga<4>,1|H<1>,1|N<3>,2|I<1>,6|C<3>}	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[5]C[5,6]C[5]N[5])	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N[5])	108.7460	0.158	2	108.7460	0.025	2	108.7460	0.025	2	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7610	0.693	2	109.7610	0.480	2	110.3438	0.409	5	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|S<2>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	110.7323	0.107	3	110.7323	0.012	3	110.3438	0.409	5	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3360	0.000	1	110.3360	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1500	0.000	1	108.9795	0.058	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8090	0.000	1	108.9795	0.058	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8490	0.000	1	108.8490	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3964	1.491	5	108.3964	2.224	5	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[5]O){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5920	0.000	1	109.5920	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0640	0.000	1	109.0640	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	107.1140	0.000	1	106.8955	0.095	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	106.6770	0.000	1	106.8955	0.095	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4780	0.000	1	109.4780	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.1290	0.000	1	107.1290	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.3890	0.000	1	108.4938	2.922	4	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	106.7130	0.000	1	108.4938	2.922	4	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9365	0.460	2	108.4938	2.922	4	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6130	0.000	1	109.2730	0.093	3	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0230	0.000	1	109.2730	0.093	3	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1830	0.000	1	109.2730	0.093	3	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9580	0.000	1	109.5073	0.226	3	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7820	0.000	2	109.5073	0.226	3	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(CCO){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6980	1.853	2	108.6980	3.432	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CCS)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(CCS){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9135	0.565	4	109.9135	0.319	4	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CC[6,6]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(CC[6,6]O){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4855	0.872	2	109.4855	0.760	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9515	0.762	2	108.9515	0.580	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0170	0.290	2	109.0170	0.084	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[6a]C[5]N[5])	109.4590	0.000	1	108.8455	0.753	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2320	0.000	1	108.8455	0.753	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0180	0.000	1	110.0180	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1690	0.000	1	109.1690	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7790	0.000	1	108.7790	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[5a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[5a]O){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4245	0.230	2	109.4245	0.053	2	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3920	0.000	1	109.3920	0.000	1	108.9856	1.121	45	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)2(C[5]C[5]N[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[5]C[5]N[5]){2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4540	0.139	2	109.4540	0.019	2	109.5144	0.055	5	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2C)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6970	0.256	2	109.6970	0.066	2	109.5144	0.055	5	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2700	0.000	1	109.2700	0.000	1	109.5144	0.055	5	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5]C[6a]C[5]H)2(NPdC)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(NPdC){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.1640	0.119	2	110.1640	0.014	2	110.1640	0.014	2	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0050	0.000	1	109.0050	0.000	1	108.9778	0.015	4	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO){1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9687	0.147	3	108.9687	0.022	3	108.9778	0.015	4	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H)	N[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]CH)(CCO){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.8615	0.006	4	109.8615	0.000	4	109.6423	0.085	7	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.3650	0.247	2	109.3650	0.061	2	109.6423	0.085	7	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	N[5](C[5,5]C[5]3)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	109.3200	0.000	1	109.3200	0.000	1	109.6423	0.085	7	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<3>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8790	0.000	1	109.8790	0.000	1	109.6905	0.071	2	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5020	0.000	1	109.5020	0.000	1	109.6905	0.071	2	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.2184	0.941	77	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7240	0.000	1	109.7240	0.000	1	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7250	0.000	1	109.7250	0.000	1	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO){1|C<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6110	0.000	1	108.6110	0.000	1	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4770	0.000	1	109.6105	1.502	2	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7440	0.000	1	109.6105	1.502	2	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCOO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCOO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0270	0.000	1	110.0270	0.000	1	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2790	0.000	1	109.2790	0.000	1	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]SnH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|Sn<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]SnH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	113.1270	0.000	1	113.1270	0.000	1	109.9642	2.025	8	109.9642	2.025	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:3:1:	4:5:3:	4:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:Si[5]-5:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H)	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H){1|Si<5>,3|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[5]C[5,6]C[5]N[5])	111.4275	0.330	2	111.4275	0.109	2	111.4275	0.109	2	111.4275	0.109	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH){1|C<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.7740	0.013	2	109.7740	0.000	2	109.7700	0.000	3	109.7520	0.001	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.7620	0.000	1	109.7620	0.000	1	109.7700	0.000	3	109.7520	0.001	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	109.7520	0.001	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H)	N[5](C[5]C[5,6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]2)(C[5]C[5]CH)(N[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	109.7152	1.605	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.3650	0.000	1	108.3650	0.000	1	109.0045	0.818	2	109.7152	1.605	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.6440	0.000	1	109.6440	0.000	1	109.0045	0.818	2	109.7152	1.605	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.7152	1.605	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[4]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H)	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.1065	0.483	2	109.1065	0.233	2	108.7610	0.475	3	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[4]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H)	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]S[5]S)	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H){1|C<4>,1|N<2>,1|S<1>}	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]S[5]S){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.0700	0.000	1	108.0700	0.000	1	108.7610	0.475	3	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3310	0.071	2	109.3310	0.005	2	109.3310	0.005	2	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	109.6130	0.356	3	109.6130	0.126	3	109.5528	0.450	5	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	108.5910	0.000	1	108.5910	0.000	1	109.5528	0.450	5	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	110.3340	0.000	1	110.3340	0.000	1	109.5528	0.450	5	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[6]C[6]O[6])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	N[5](C[6]C[6]O[6])(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	109.1310	0.380	2	109.1310	0.145	2	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	109.9560	0.000	1	109.9560	0.000	1	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	109.8910	0.276	2	109.8910	0.076	2	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|P<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.2100	0.000	1	110.2100	0.000	1	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H){1|Ru<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	109.0235	0.138	2	109.0235	0.019	2	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	106.6207	3.675	3	106.6207	13.506	3	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]N[5]C)	107.6840	0.000	1	108.7400	2.230	2	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.7960	0.000	1	108.7400	2.230	2	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	105.9630	0.000	1	105.9630	0.000	1	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Li)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|Li<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Li){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	107.6160	0.000	1	107.6160	0.000	1	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.2230	0.000	1	109.2230	0.000	1	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.6083	0.264	3	109.6083	0.070	3	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.7440	0.000	1	109.7440	0.000	1	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.8910	0.000	1	109.8910	0.000	1	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4780	0.716	2	109.4780	0.512	2	108.8616	2.951	23	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]2H)(C[5]N[5]H)	H(C[5]C[5]2N[5])	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]2H)(C[5]N[5]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2N[5])	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H)	H(C[5]C[5]2N[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2N[5])	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.9784	2.081	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	109.2060	0.000	1	109.2060	0.000	1	109.7597	0.646	12	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	109.9928	0.174	4	109.9928	0.030	4	109.7597	0.646	12	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H){1|C<3>,1|N<2>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	108.5660	0.000	1	108.5660	0.000	1	109.7597	0.646	12	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	108.5840	0.000	1	108.5840	0.000	1	109.7597	0.646	12	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	109.4190	0.368	2	109.4190	0.135	2	109.7597	0.646	12	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	111.4130	0.000	1	111.4130	0.000	1	109.7597	0.646	12	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	110.2695	0.260	2	110.2695	0.067	2	109.7597	0.646	12	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:Ga[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H){1|O<3>,2|C<3>,2|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H){3|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	108.2935	0.019	2	108.2935	0.000	2	108.2935	0.000	2	109.5503	0.830	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:3:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]Rh)(C[6]C[6]2)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]Rh)(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	108.5450	1.618	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.3210	0.000	1	109.3210	0.000	1	109.3210	0.000	1	108.5450	1.618	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]Ga)	106.7400	0.000	1	106.7400	0.000	1	106.7400	0.000	1	108.5450	1.618	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[5]C[5]N[5]Si)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.5450	1.618	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H)	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H){2|N<2>}	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H){2|H<1>,2|P<4>}	H(C[5]C[5]N[5]C)	108.9180	0.064	2	108.9180	0.004	2	108.9180	0.004	2	108.9180	0.004	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	110.3620	0.264	2	110.3620	0.070	2	110.3620	0.070	2	109.9632	0.809	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	109.9632	0.809	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[4]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H)	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>,3|H<1>}	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O){2|C<4>,7|H<1>}	H(C[5]C[5]N[5]C)	108.4980	0.000	1	108.4980	0.000	1	109.1255	0.788	2	109.9632	0.809	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[4]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7530	0.000	1	109.7530	0.000	1	109.1255	0.788	2	109.9632	0.809	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	111.4535	0.148	2	111.4535	0.022	2	110.8943	0.949	3	109.9632	0.809	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	109.7760	0.000	1	109.7760	0.000	1	110.8943	0.949	3	109.9632	0.809	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O)	H(C[5]C[5]C[6]N[5])	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H){1|O<1>,4|C<4>,5|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O){1|N<3>,4|C<4>,6|H<1>}	H(C[5]C[5]C[6]N[5])	109.4610	0.205	3	109.4610	0.042	3	109.4610	0.042	3	109.9632	0.809	11	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	Si[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H)	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3)	H(C[5]C[5]N[5]C)	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H){1|C<4>,2|N<3>}	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3){2|H<1>,2|N<2>,3|C<4>}	H(C[5]C[5]N[5]C)	103.6480	0.000	1	103.6480	0.000	1	103.6480	0.000	1	103.6480	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pd<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,5,6]N[6])(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,6]N[5,5,6]N[6])(C[5]C[5,5]HH)(H){2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.4625	0.015	2	111.4625	0.000	2	111.4625	0.000	2	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2{1|H<1>,1|N<3>,3|C<4>}	N[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]HH)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6]N[5]H)	111.1800	0.021	2	111.1800	0.000	2	111.1800	0.000	2	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0125	0.015	2	110.9972	0.001	4	111.1953	0.110	12	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{2|C<3>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9820	0.037	2	110.9972	0.001	4	111.1953	0.110	12	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5385	0.405	4	111.2944	0.139	8	111.1953	0.110	12	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0503	0.022	4	111.2944	0.139	8	111.1953	0.110	12	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2{2|N<2>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H){2|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	110.8580	0.014	2	110.8580	0.000	2	110.8580	0.000	2	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3855	0.009	2	110.9596	0.538	33	110.9382	1.030	37	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2170	0.097	6	110.9596	0.538	33	110.9382	1.030	37	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	108.1740	0.355	2	110.9596	0.538	33	110.9382	1.030	37	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3060	0.052	2	110.9596	0.538	33	110.9382	1.030	37	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0223	0.060	7	110.9596	0.538	33	110.9382	1.030	37	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1056	0.113	14	110.9596	0.538	33	110.9382	1.030	37	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|N<2>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7615	2.565	4	110.7615	6.580	4	110.9382	1.030	37	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8725	0.021	2	110.8725	0.000	2	110.8725	0.000	2	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6388	0.675	4	110.6388	0.456	4	110.6388	0.456	4	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.1360	0.041	3	111.1360	0.002	3	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]N)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|N<2>,2|C<3>}	N[5](C[5]C[5,5]N)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2025	0.005	2	111.2025	0.000	2	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2500	0.024	4	111.2500	0.001	4	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2582	0.156	6	111.5330	0.301	8	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	112.3575	0.415	2	111.5330	0.301	8	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1980	0.007	2	111.1980	0.000	2	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.9940	0.938	2	109.9940	0.879	2	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5060	0.000	1	111.5060	0.000	1	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2157	0.073	4	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2118	0.071	11	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4540	0.010	2	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	111.4890	0.035	2	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3205	0.713	4	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Co<6>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	111.3833	0.023	3	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Fe<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Fe<6>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	110.0352	2.634	6	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ni<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Ni<6>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	111.3754	0.089	7	111.1115	1.180	39	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|S<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2458	0.084	8	111.2458	0.007	8	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9127	1.303	16	111.1228	0.906	31	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2933	0.144	4	111.1228	0.906	31	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.2290	0.047	2	111.1228	0.906	31	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ir<8>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3145	0.037	2	111.1228	0.906	31	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<5>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4300	0.140	4	111.1228	0.906	31	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|Mn<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4077	0.132	3	111.1228	0.906	31	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3322	0.069	6	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1378	0.474	44	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5095	0.018	2	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.9047	1.306	10	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Co<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4015	0.123	13	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.9210	0.761	4	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Rh<8>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Rh<8>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1635	0.044	4	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5785	0.080	2	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Zn<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.6308	0.104	4	111.3524	0.387	89	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]N[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]N[6a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0685	0.011	2	111.0685	0.000	2	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5665	0.064	2	111.5665	0.004	2	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4368	2.021	4	111.4368	4.086	4	111.2511	0.652	197	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7815	0.019	2	110.7815	0.000	2	110.7815	0.000	2	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2{1|H<1>,2|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2295	0.013	2	110.2295	0.000	2	110.2295	0.000	2	111.1788	0.669	262	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:N-2:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2{2|N<2>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO){2|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	108.6950	1.290	2	108.6950	1.663	2	108.6950	1.663	2	110.4665	1.455	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0570	0.175	6	111.0570	0.031	6	111.0570	0.031	6	110.4665	1.455	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]N[5]H)	110.6930	0.014	2	110.6930	0.000	2	110.6930	0.000	2	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	H(C[5]C[5,5]N[5]H)	111.2507	0.056	4	111.2507	0.003	4	111.2507	0.003	4	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2{2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.8825	0.015	2	110.8825	0.000	2	110.6660	0.018	8	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	110.5855	0.021	4	110.5855	0.000	4	110.6660	0.018	8	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	110.6105	0.021	2	110.6105	0.000	2	110.6660	0.018	8	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]S)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]S){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	108.1760	2.411	2	108.1760	5.814	2	108.1760	5.814	2	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO){1|Cu<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.0987	0.592	3	110.0987	0.350	3	110.3191	0.181	7	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4845	0.211	4	110.4845	0.044	4	110.3191	0.181	7	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6495	0.035	2	110.6495	0.001	2	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6570	0.033	2	110.6232	0.002	4	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5895	0.013	2	110.6232	0.002	4	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6205	0.042	4	110.6205	0.002	4	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9850	0.013	2	110.8283	0.026	12	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8335	0.022	2	110.8283	0.026	12	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6695	0.029	4	110.8283	0.026	12	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9060	0.194	4	110.8283	0.026	12	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7935	0.159	12	110.7935	0.025	12	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7750	0.020	2	110.7750	0.000	2	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5204	0.635	46	110.5204	0.403	46	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6200	0.047	2	110.6200	0.002	2	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9640	0.035	2	110.9640	0.001	2	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	108.3295	0.268	2	108.3295	0.072	2	110.5801	0.354	88	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	107.3225	1.256	6	107.3225	1.576	6	107.3225	1.576	6	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:P-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.1800	1.987	4	109.1800	3.947	4	109.1800	3.947	4	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	108.7530	1.802	2	108.7530	3.246	2	110.0323	3.264	4	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3115	0.025	2	111.3115	0.001	2	110.0323	3.264	4	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S){1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	108.4920	3.437	2	108.4920	11.810	2	109.3441	7.990	10	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4770	0.037	4	111.4770	0.001	4	109.3441	7.990	10	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|O<1>,1|S<2>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]O){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	109.9700	0.034	2	109.9700	0.001	2	109.3441	7.990	10	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]S)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|S<1>,1|S<2>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]S){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	105.3045	2.651	2	105.3045	7.028	2	109.3441	7.990	10	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2{1|H<1>,7|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0730	0.124	4	111.0730	0.015	4	110.8363	0.283	18	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.4225	0.013	2	109.4225	0.000	2	110.8363	0.283	18	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2{1|O<1>,1|S<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7845	0.021	2	110.7845	0.000	2	110.8363	0.283	18	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0347	0.124	10	111.0347	0.015	10	110.8363	0.283	18	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.9850	0.040	2	110.9850	0.002	2	110.8432	0.014	6	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<3>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7722	0.053	4	110.7722	0.003	4	110.8432	0.014	6	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	P[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](P[5]C[5,6a]CuC)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO)	H(C[5]N[5]P[5]H)	C[5](P[5]C[5,6a]CuC)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5]P[5]H)	110.2272	0.125	6	110.2272	0.016	6	110.2272	0.016	6	110.3458	1.460	165	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	B[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3)	H(C[5]B[5,6,6]N[5]H)	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5]B[5,6,6]N[5]H)	110.4755	0.016	2	110.4755	0.000	2	110.4755	0.000	2	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]N[5]H)	111.2055	0.030	2	111.2055	0.001	2	111.2055	0.001	2	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2{1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.6960	0.000	2	110.6960	0.000	2	110.6960	0.000	2	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	110.8933	0.011	3	110.8933	0.000	3	110.8611	0.003	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	110.7845	0.037	2	110.7845	0.001	2	110.8611	0.003	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	110.9260	0.007	2	110.9260	0.000	2	110.8611	0.003	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8110	0.011	2	110.8110	0.000	2	110.8611	0.003	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8745	0.008	2	110.8745	0.000	2	110.8611	0.003	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2{4|H<1>}	H(C[5]C[5]N[5]H)	110.8431	0.194	23	110.8431	0.038	23	110.8431	0.038	23	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9775	0.076	4	110.9775	0.006	4	110.8415	0.504	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	109.8165	0.217	4	109.8165	0.047	4	110.8415	0.504	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4342	0.052	6	111.4342	0.003	6	110.8415	0.504	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>}	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6560	0.106	3	110.6560	0.011	3	110.5837	0.028	4	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|N<2>}	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3670	0.000	1	110.3670	0.000	1	110.5837	0.028	4	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8460	0.081	4	110.8460	0.006	4	110.8460	0.006	4	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<3>,3|C<3>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.0320	0.040	2	110.0320	0.002	2	110.0320	0.002	2	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|W<7>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1675	0.033	2	111.1675	0.001	2	111.0299	0.029	21	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2575	0.006	2	111.2575	0.000	2	111.0299	0.029	21	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2{1|B<4>,1|O<2>}	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH){1|C<4>,1|H<1>,2|B<4>}	H(C[5]C[5]N[5]H)	111.1015	0.022	2	111.1015	0.000	2	111.0299	0.029	21	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<3>}	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0415	0.029	2	111.0415	0.001	2	111.0299	0.029	21	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8941	0.132	9	110.9060	0.015	11	111.0299	0.029	21	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9595	0.013	2	110.9060	0.015	11	111.0299	0.029	21	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2625	0.008	2	111.2625	0.000	2	111.0299	0.029	21	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,2|C<3>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3295	0.042	2	111.3295	0.002	2	111.1813	0.016	6	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1072	0.067	4	111.1072	0.005	4	111.1813	0.016	6	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8575	0.093	2	110.8575	0.009	2	110.7811	1.781	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0125	0.016	2	111.0125	0.000	2	110.7811	1.781	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.9535	2.180	4	109.9535	4.753	4	110.7811	1.781	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0935	0.036	2	111.0935	0.001	2	110.7811	1.781	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0405	0.025	2	111.0405	0.001	2	110.7811	1.781	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5565	2.121	2	111.5565	4.497	2	110.7811	1.781	14	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9770	0.006	2	110.9770	0.000	2	110.6197	0.126	15	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.5295	0.064	2	110.5295	0.004	2	110.6197	0.126	15	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9280	0.134	3	110.9280	0.018	3	110.6197	0.126	15	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5267	0.095	4	110.5267	0.009	4	110.6197	0.126	15	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.1705	0.822	2	110.1705	0.676	2	110.6197	0.126	15	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5255	0.054	2	110.5255	0.003	2	110.6197	0.126	15	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1755	0.039	2	111.1755	0.002	2	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2125	0.013	2	111.2125	0.000	2	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0145	0.045	2	111.0145	0.002	2	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	112.0745	8.154	2	111.3565	22.848	4	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6385	0.015	2	111.3565	22.848	4	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3120	0.027	2	111.3120	0.001	2	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0755	0.009	2	111.0755	0.000	2	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1438	0.112	6	110.8394	0.384	8	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9260	0.634	2	110.8394	0.384	8	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	109.4285	1.634	2	109.4285	2.670	2	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	110.6047	0.201	4	110.6047	0.040	4	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH){1|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	111.0610	0.007	2	111.0610	0.000	2	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1280	0.014	4	111.1280	0.000	4	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1450	0.021	2	111.1896	0.006	5	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2193	0.094	3	111.1896	0.006	5	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2973	0.023	4	111.2973	0.001	4	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1980	0.027	4	111.1795	0.001	6	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1425	0.011	2	111.1795	0.001	6	111.0172	1.698	49	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]N[5])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[5,6]N[5])(C[5]C[5]HH)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1243	0.084	8	111.1243	0.007	8	111.1020	0.025	38	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9805	0.117	2	110.9805	0.014	2	111.1020	0.025	38	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N[5])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[5]C[5,6a]N[5])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0689	0.058	7	111.0689	0.003	7	111.1020	0.025	38	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O[5])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|O<2>,4|H<1>}	N[5](C[5]C[5,6a]O[5])(C[5]C[5]HH)2{1|I<3>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1112	0.079	4	111.1112	0.006	4	111.1020	0.025	38	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O[5])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[5]O[5])(C[5]C[5]HH)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0845	0.239	13	111.0845	0.057	13	111.1020	0.025	38	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]O[5])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|O<2>,4|H<1>}	N[5](C[5]N[5]O[5])(C[5]C[5]HH)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2237	0.122	4	111.2237	0.015	4	111.1020	0.025	38	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0240	0.190	6	111.0240	0.036	6	111.0240	0.036	6	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2{1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2235	0.019	2	111.2235	0.000	2	111.1563	0.044	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3310	0.004	2	111.2662	0.006	4	111.1563	0.044	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2015	0.005	2	111.2662	0.006	4	111.1563	0.044	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8155	0.363	2	110.8155	0.132	2	111.1563	0.044	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[4]C[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[4]C[5])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2010	0.000	1	111.2010	0.000	1	111.1563	0.044	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2{1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1875	0.037	2	111.1875	0.001	2	111.1563	0.044	11	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8745	0.042	2	110.8745	0.002	2	110.8745	0.002	2	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	H(C[5]C[5]N[5]H)	110.3850	0.006	2	110.3850	0.000	2	110.3850	0.000	2	110.9340	0.546	229	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:2:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:Se[5]-2:C-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2{1|H<1>,4|C<4>}	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]N[5]H)	109.5975	0.032	2	109.5975	0.001	2	109.5975	0.001	2	110.5600	0.489	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:2:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:Ge[5]-2:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2	N[5](C[5]C[5]HH)(Ge[5]N[5])(CC[6a]C)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(Ge[5]N[5])(CC[6a]C){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4797	0.340	4	110.4797	0.115	4	110.4797	0.115	4	110.5600	0.489	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:2:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5])(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3220	0.004	2	111.3220	0.000	2	111.3087	0.001	3	110.5600	0.489	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:2:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|O<2>}	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H){1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2820	0.000	1	111.2820	0.000	1	111.3087	0.001	3	110.5600	0.489	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-2:P-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5340	0.069	3	111.5340	0.005	3	111.5340	0.005	3	111.5340	0.005	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5,6]N[5]H)	111.0172	0.118	4	111.0172	0.014	4	111.0172	0.014	4	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	H(C[5]C[5,5]N[5]H)	110.6795	1.405	2	110.6795	1.974	2	111.0342	0.473	6	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.1675	0.008	2	111.1675	0.000	2	111.0342	0.473	6	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.2555	0.063	2	111.2555	0.004	2	111.0342	0.473	6	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]H)	111.1205	0.039	2	111.1205	0.002	2	111.0073	0.008	6	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]H)	110.9507	0.026	4	110.9507	0.001	4	111.0073	0.008	6	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.2700	0.041	2	111.2700	0.002	2	111.1008	0.070	12	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,6|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.0071	0.281	8	111.0071	0.079	8	111.1008	0.070	12	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]N)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]H)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]N[5,6]N)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.3065	0.039	2	111.3065	0.002	2	111.1008	0.070	12	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1630	0.051	4	111.1630	0.003	4	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	H(C[5]C[5]N[5]H)	111.1765	0.110	4	111.1765	0.012	4	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]Cr)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Cr<6>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]Cr)(H){4|H<1>}	H(C[5]C[5]N[5]H)	111.2745	0.025	2	111.2745	0.001	2	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9447	0.069	4	110.9447	0.005	4	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|F<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|F<1>,2|H<1>}	H(C[5]C[5]N[5]H)	111.8580	0.614	2	111.0767	0.584	35	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4528	0.864	4	111.0767	0.584	35	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0700	0.014	2	111.0767	0.584	35	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3735	0.005	2	111.0767	0.584	35	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]H)	111.0908	0.771	25	111.0767	0.584	35	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	112.3915	0.250	2	112.3915	0.062	2	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.2095	0.028	2	111.2095	0.001	2	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3690	0.000	1	111.0648	0.072	11	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1140	0.016	2	111.0648	0.072	11	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2592	0.097	4	111.0648	0.072	11	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6320	0.124	2	111.0648	0.072	11	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9075	0.057	2	111.0648	0.072	11	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1820	0.014	2	111.1820	0.000	2	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2{1|S<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8525	0.272	2	110.8525	0.074	2	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2165	0.037	2	111.2635	0.004	4	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3105	0.021	2	111.2635	0.004	4	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0800	0.169	3	111.0800	0.029	3	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2507	0.114	17	111.0526	0.589	70	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	H(C[5]C[5]N[5]H)	110.9614	0.616	22	111.0526	0.589	70	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){2|H<1>}	H(C[5]C[5]N[5]H)	110.4210	1.053	4	111.0526	0.589	70	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3543	0.173	19	111.0526	0.589	70	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){2|H<1>}	H(C[5]C[5]N[5]H)	108.0510	2.414	2	111.0526	0.589	70	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|Zn<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3785	0.397	2	111.0526	0.589	70	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2495	0.150	4	111.0526	0.589	70	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Mn)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Mn)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.4116	0.083	7	111.4116	0.007	7	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.1797	1.416	6	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2295	0.059	10	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1825	0.032	2	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	H(C[5]C[5]N[5]H)	110.5946	1.549	16	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	H(C[5]C[5]N[5]H)	110.4074	1.444	14	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9910	0.006	2	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	110.7897	2.933	4	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.0360	0.006	2	110.6816	1.921	56	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1285	0.045	2	111.1389	0.840	92	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.6281	0.749	8	111.1389	0.840	92	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.1734	0.847	78	111.1389	0.840	92	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<2>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	H(C[5]C[5]N[5]H)	109.4922	1.227	4	111.1389	0.840	92	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pt<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3974	0.056	10	111.3974	0.003	10	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5160	0.041	2	111.3963	0.006	27	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3315	0.091	4	111.3963	0.006	27	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3490	0.000	1	111.3963	0.006	27	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Re)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3996	0.070	20	111.3963	0.006	27	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<8>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3882	0.038	4	111.4371	0.004	8	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.4860	0.033	4	111.4371	0.004	8	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.5573	0.220	3	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3535	0.138	13	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	107.9410	0.779	2	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3120	0.076	36	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3225	0.091	11	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3756	0.137	29	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<3>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3482	0.133	9	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|S<1>,1|S<4>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0720	0.065	2	111.2200	0.320	105	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4192	0.542	9	111.4192	0.294	9	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]C)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.4782	0.121	6	111.4782	0.015	6	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.4995	0.019	2	111.3799	1.180	39	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.3735	1.116	37	111.3799	1.180	39	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]H)	109.8910	1.413	2	109.8910	1.996	2	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7310	0.550	2	110.7310	0.303	2	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]C)(H){2|H<1>}	H(C[5]C[5]N[5]H)	110.3137	0.156	4	110.3137	0.024	4	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	110.5175	0.015	2	109.2860	2.431	8	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	108.8755	1.611	6	109.2860	2.431	8	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(H){2|H<1>}	H(C[5]C[5]N[5]H)	110.0605	0.013	2	110.0530	0.020	8	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<2>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(H){2|H<1>}	H(C[5]C[5]N[5]H)	110.0505	0.166	6	110.0530	0.020	8	111.0892	0.777	528	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9180	0.010	2	110.9180	0.000	2	110.9180	0.000	2	111.0868	0.742	558	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(OC)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(OC){1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	111.3045	0.317	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC){2|H<1>}	H(C[5]C[5]N[5]H)	110.9205	0.819	4	110.9205	0.670	4	110.9205	0.670	4	111.3045	0.317	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(NC){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.5410	0.153	5	110.5410	0.024	5	111.3224	0.309	17	111.3045	0.317	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(NO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(NO){2|H<1>}	H(C[5]C[5]N[5]H)	111.6728	0.022	4	111.6728	0.000	4	111.3224	0.309	17	111.3045	0.317	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(NC){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.6356	0.274	8	111.6356	0.075	8	111.3224	0.309	17	111.3045	0.317	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.5730	0.128	4	111.5730	0.016	4	111.5730	0.016	4	111.3045	0.317	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(COO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	110.7475	0.037	2	110.7475	0.001	2	110.6822	0.006	4	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2{2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO){1|C<3>,2|C<4>}	H(C[5]C[3,5]N[5]H)	110.6170	0.016	2	110.6170	0.000	2	110.6822	0.006	4	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2{1|H<1>,2|O<1>,5|C<3>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.9115	0.021	2	110.9115	0.000	2	110.9115	0.000	2	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCO){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.3550	2.660	2	110.3550	7.076	2	110.3550	7.076	2	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.1835	0.016	2	111.1835	0.000	2	111.1835	0.000	2	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.2520	0.000	1	111.2315	0.008	11	111.2470	0.008	13	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.3870	0.044	2	111.2315	0.008	11	111.2470	0.008	13	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.2088	0.045	6	111.2315	0.008	11	111.2470	0.008	13	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.1335	0.009	2	111.2315	0.008	11	111.2470	0.008	13	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.3325	0.009	2	111.3325	0.000	2	111.2470	0.008	13	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.8530	0.000	1	110.8530	0.000	1	111.2430	0.116	3	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.4380	0.054	2	111.4380	0.003	2	111.2430	0.116	3	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2625	0.012	2	111.2625	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,2|C<2>}	H(C[5]C[5]N[5]H)	111.2370	0.028	2	111.2370	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8796	0.140	8	110.8796	0.019	8	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCO){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8350	0.000	1	110.8350	0.000	1	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(CNS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(CNS){4|H<1>}	H(C[5]C[5]N[5]H)	113.4470	0.940	2	113.4470	0.884	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(COO){3|H<1>}	H(C[5]C[5]N[5]H)	110.9270	0.010	2	110.9270	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0730	0.040	2	111.0730	0.002	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1200	0.051	3	111.1200	0.003	3	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C){4|H<1>}	H(C[5]C[5]N[5]H)	111.2062	0.067	4	111.2062	0.004	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7420	0.190	2	110.1830	1.141	5	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.1105	0.740	2	110.1830	1.141	5	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.2100	0.000	1	110.1830	1.141	5	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CMoC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CMoC){4|H<1>}	H(C[5]C[5]N[5]H)	111.3407	0.129	4	111.3407	0.017	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2080	3.896	2	110.3780	5.099	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5480	0.004	2	110.3780	5.099	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH){3|H<1>}	H(C[5]C[5]N[5]H)	110.8665	0.114	4	110.8665	0.013	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0400	0.197	8	110.0446	2.474	12	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){3|H<1>}	H(C[5]C[5]N[5]H)	108.0538	1.026	4	110.0446	2.474	12	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[3]O)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[3]O){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8195	0.028	2	110.8195	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2288	0.109	10	111.2288	0.012	10	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2265	0.015	2	111.1887	0.002	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO){3|H<1>}	H(C[5]C[5]N[5]H)	111.1510	0.040	2	111.1887	0.002	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(COS)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(COS){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0163	0.026	6	111.0163	0.001	6	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCC)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<6>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCC){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3010	0.023	2	111.3010	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5375	0.018	2	111.5375	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCO){1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2975	0.013	2	111.2975	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(COO){2|H<1>}	H(C[5]C[5]N[5]H)	109.8745	2.624	2	109.8745	6.886	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCC)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCC){2|H<1>}	H(C[5]C[5]N[5]H)	111.5640	0.040	2	111.5640	0.002	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCF)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCF){2|H<1>}	H(C[5]C[5]N[5]H)	111.5135	0.042	2	111.5135	0.002	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	H(C[5]C[5]N[5]H)	111.5544	0.372	17	111.5544	0.139	17	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCI)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCI){2|H<1>}	H(C[5]C[5]N[5]H)	111.7000	0.059	3	111.7000	0.003	3	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCN)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCN){2|H<1>}	H(C[5]C[5]N[5]H)	111.6030	0.037	2	111.6030	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]H)	111.5640	1.043	46	111.5640	1.088	46	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[3]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[3]O){2|H<1>}	H(C[5]C[5]N[5]H)	111.3690	0.031	2	111.3690	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[4]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[4]H){2|H<1>}	H(C[5]C[5]N[5]H)	111.6860	0.310	3	111.6860	0.096	3	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5]H){2|H<1>}	H(C[5]C[5]N[5]H)	111.6275	0.013	2	111.6275	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5]O){2|H<1>}	H(C[5]C[5]N[5]H)	109.8700	2.570	6	109.8700	6.604	6	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]O){2|H<1>}	H(C[5]C[5]N[5]H)	111.1180	0.038	2	111.1180	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H){2|H<1>}	H(C[5]C[5]N[5]H)	111.4268	0.181	10	111.4268	0.033	10	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O){2|H<1>}	H(C[5]C[5]N[5]H)	111.3726	1.009	14	111.3726	1.019	14	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]C)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]C){2|H<1>}	H(C[5]C[5]N[5]H)	111.5260	0.000	1	111.5260	0.000	1	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]H)	111.5685	0.067	10	111.5685	0.004	10	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CGeC)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CGeC){2|H<1>}	H(C[5]C[5]N[5]H)	111.8064	0.432	5	111.8064	0.187	5	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]S)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]O[5]S)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]H)	111.6895	0.037	2	111.6895	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCC)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCC){2|H<1>}	H(C[5]C[5]N[5]H)	110.4450	0.030	2	110.4450	0.001	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]H)	110.5253	0.085	6	110.5253	0.007	6	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[5,6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[5,6]O){2|H<1>}	H(C[5]C[5]N[5]H)	110.2965	0.015	2	110.2965	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[5a]O){2|H<1>}	H(C[5]C[5]N[5]H)	109.9513	0.052	4	109.9513	0.003	4	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]H)	110.4973	0.206	6	110.4973	0.042	6	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]S[5]O)(CNO){2|H<1>}	H(C[5]C[5]N[5]H)	109.3094	0.410	7	109.3094	0.168	7	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(COS)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]S[5]O)(COS){2|H<1>}	H(C[5]C[5]N[5]H)	108.3190	3.227	2	108.3190	10.415	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO){2|H<1>}	H(C[5]C[5]N[5]H)	110.3446	0.443	14	110.3446	0.196	14	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[3]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[3]O){2|H<1>}	H(C[5]C[5]N[5]H)	110.2925	0.009	2	110.2925	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6]O){2|H<1>}	H(C[5]C[5]N[5]H)	110.6720	0.014	2	110.6720	0.000	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]H)	110.5904	0.085	5	110.5904	0.007	5	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(COO){2|H<1>}	H(C[5]C[5]N[5]H)	109.8495	0.443	2	109.8495	0.197	2	111.0210	1.125	268	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1840	0.000	1	111.1840	0.000	1	110.9057	0.749	10	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|S<1>,2|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	109.3980	0.000	1	109.6770	0.062	3	110.9057	0.749	10	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|S<1>,2|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.8165	0.088	2	109.6770	0.062	3	110.9057	0.749	10	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.6310	0.025	2	111.4737	0.015	6	110.9057	0.749	10	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4030	0.030	2	111.4737	0.015	6	110.9057	0.749	10	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3870	0.004	2	111.4737	0.015	6	110.9057	0.749	10	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(NHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(NHH){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.5880	0.038	2	110.5880	0.001	2	111.2257	0.194	7	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(NOO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2{1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(NOO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.5207	0.071	3	111.5207	0.005	3	111.2257	0.194	7	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(NOO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(NOO){3|H<1>}	H(C[5]C[5]N[5]H)	111.4210	0.013	2	111.4210	0.000	2	111.2257	0.194	7	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]C)(PC[6a]2)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]C)(PC[6a]2){2|H<1>}	H(C[5]C[5]N[5]H)	109.4830	0.103	2	109.4830	0.011	2	109.7402	0.060	5	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(PC[6a]2)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(PC[6a]2){2|H<1>}	H(C[5]C[5]N[5]H)	109.8745	0.013	2	109.8745	0.000	2	109.7402	0.060	5	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(PC[6a]2)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(PC[6a]2){2|H<1>}	H(C[5]C[5]N[5]H)	109.9860	0.000	1	109.9860	0.000	1	109.7402	0.060	5	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5445	0.074	2	110.5445	0.006	2	108.5208	6.848	12	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){3|H<1>}	H(C[5]C[5]N[5]H)	104.7660	2.440	2	106.1065	4.524	4	108.5208	6.848	12	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	107.4470	0.658	2	106.1065	4.524	4	108.5208	6.848	12	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	106.7095	1.493	2	106.7095	2.228	2	108.5208	6.848	12	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0190	0.034	2	111.0190	0.001	2	108.5208	6.848	12	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6385	0.035	2	110.6385	0.001	2	108.5208	6.848	12	110.9140	1.447	328	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H)	H(C[5]C[3,5,5]N[5]H)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2{1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5,5]N[5]H)	111.2770	0.017	4	111.2770	0.000	4	111.2770	0.000	4	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2	N[5](C[5]C[3,5,6,6]HH)(C[5]C[3,5]O)(SC[6a]OO)	H(C[5]C[3,5,6,6]N[5]H)	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5,6,6]HH)(C[5]C[3,5]O)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[3,5,6,6]N[5]H)	111.3865	0.071	2	111.3865	0.005	2	111.3865	0.005	2	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	110.9245	0.032	2	110.9245	0.001	2	110.9952	0.008	8	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	110.9850	0.018	2	110.9850	0.000	2	110.9952	0.008	8	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3){1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.9385	0.018	2	110.9385	0.000	2	110.9952	0.008	8	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[3,5]N[5]H)	111.1330	0.013	2	111.1330	0.000	2	110.9952	0.008	8	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[3,5]N[5]H)	111.1110	0.013	2	111.1110	0.000	2	111.1440	0.001	5	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.1650	0.004	2	111.1650	0.000	2	111.1440	0.001	5	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.1680	0.000	1	111.1680	0.000	1	111.1440	0.001	5	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3x5,6]N[5]H)	111.3565	0.116	13	111.3565	0.014	13	111.3112	0.015	19	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3x5,6]N[5]H)	111.2320	0.076	4	111.2132	0.004	6	111.3112	0.015	19	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3x5,6]N[5]H)	111.1755	0.011	2	111.2132	0.004	6	111.3112	0.015	19	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(SC[6a]OO)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[4,5]N[5]H)	111.1415	0.005	2	111.1415	0.000	2	111.1415	0.000	2	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	H(C[5]C[5,5,6]N[5]H)	110.5370	0.006	2	110.5370	0.000	2	110.5370	0.000	2	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.0515	0.016	2	111.0515	0.000	2	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.7270	0.111	4	110.7270	0.012	4	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3){1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	110.8355	0.012	4	110.8355	0.000	4	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.8900	0.048	2	110.9488	0.007	4	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.0075	0.076	2	110.9488	0.007	4	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.0662	0.034	4	111.0662	0.001	4	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(C[5]C[5,5]N[5]H)	111.7260	0.020	2	111.7260	0.000	2	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.7410	0.006	2	110.7410	0.000	2	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]N[5]H)	111.0885	0.046	2	111.0885	0.002	2	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	H(C[5]C[5,5]N[5]H)	111.5790	0.000	1	111.5790	0.000	1	111.0041	0.085	25	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.1695	0.023	2	111.1695	0.001	2	111.1695	0.001	2	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO){1|C<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.9190	0.023	2	110.8845	0.002	4	111.1043	0.117	6	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|O<1>,2|C<3>,2|N<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO){1|C<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.8500	0.034	2	110.8845	0.002	4	111.1043	0.117	6	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.5440	0.010	2	111.5440	0.000	2	111.1043	0.117	6	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.1887	0.156	4	111.1887	0.024	4	111.1887	0.024	4	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.5920	0.025	2	111.5920	0.001	2	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.6265	0.029	2	110.6743	1.256	8	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.1415	1.392	4	110.6743	1.256	8	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6]N[5]H)	110.7875	0.022	2	110.6743	1.256	8	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3){3|C<3>}	H(C[5]C[5,6]N[5]H)	110.4625	0.019	4	110.4625	0.000	4	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){3|C<3>}	H(C[5]C[5,6]N[5]H)	110.6280	0.016	2	110.6280	0.000	2	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH){2|C<4>}	H(C[5]C[5,6]N[5]H)	111.5865	0.042	2	111.5865	0.002	2	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH){1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.2815	0.016	2	111.2815	0.000	2	110.8710	0.647	20	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9195	0.013	2	111.2447	0.050	7	110.9660	0.332	17	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3748	0.030	5	111.2447	0.050	7	110.9660	0.332	17	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]C)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9290	0.055	2	110.9290	0.003	2	110.9660	0.332	17	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.1288	0.054	6	111.1288	0.003	6	110.9660	0.332	17	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]S[5]N)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]HH)(C[5]S[5]N)(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5]C[5,6]N[5]H)	109.5390	0.460	2	109.5390	0.211	2	110.9660	0.332	17	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2{1|C<4>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5]N[5]H)	111.0355	0.028	2	111.0355	0.001	2	111.0355	0.001	2	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2{1|S<4>,2|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.7835	0.011	2	110.7835	0.000	2	110.7835	0.000	2	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7020	0.030	3	110.7020	0.001	3	110.7746	0.010	5	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](C[5]C[5]HH)(B[5]N[5]Pt)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|Pt<4>,1|C<4>}	N[5](C[5]C[5]HH)(B[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8835	0.008	2	110.8835	0.000	2	110.7746	0.010	5	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:B-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(BN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2{1|S<2>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(BN[5]HH){2|H<1>}	H(C[5]C[5]N[5]H)	109.8070	0.060	4	109.8070	0.004	4	109.8070	0.004	4	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0435	0.008	2	111.0435	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8225	0.019	2	110.8225	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7695	0.011	2	110.7695	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1725	0.029	2	111.1703	0.004	6	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1693	0.078	4	111.1703	0.004	6	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|S<4>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6540	0.016	2	110.6540	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5580	1.550	2	110.5580	2.402	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2820	0.000	1	111.2820	0.000	1	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.8698	1.173	4	109.8698	1.376	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8220	0.028	2	110.8220	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.7820	0.096	5	110.7820	0.009	5	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	110.7780	0.199	4	110.7780	0.040	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1385	0.013	2	111.1385	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	104.5495	1.860	2	104.5495	3.461	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0049	0.158	48	110.9992	0.025	50	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8610	0.018	2	110.9992	0.025	50	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	110.6725	0.777	51	110.6852	0.584	53	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0110	0.049	2	110.6852	0.584	53	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN){4|H<1>}	H(C[5]C[5]N[5]H)	111.1930	0.000	1	111.1930	0.000	1	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1680	0.017	2	111.0377	0.054	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9993	0.128	7	111.0377	0.054	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0485	0.049	2	111.0377	0.054	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1675	0.008	2	111.0377	0.054	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8942	0.470	4	111.0377	0.054	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|I<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|I<1>}	H(C[5]C[5]N[5]H)	111.1880	0.037	2	111.0377	0.054	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3685	1.273	2	110.9900	0.294	195	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1570	0.035	2	110.9900	0.294	195	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0535	0.050	4	110.9900	0.294	195	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	111.0236	0.474	164	110.9900	0.294	195	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	110.7789	0.875	23	110.9900	0.294	195	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN){4|H<1>}	H(C[5]C[5]N[5]H)	108.5028	1.987	4	108.5028	3.949	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.9220	0.007	2	110.9220	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CRuCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CRuCH){4|H<1>}	H(C[5]C[5]N[5]H)	111.2910	0.014	2	111.2910	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]Pd)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]Pd)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9145	0.030	2	110.9145	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9810	0.017	2	110.9810	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8980	0.011	2	110.8980	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5775	0.513	2	110.5775	0.263	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0657	0.194	10	111.0657	0.038	10	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.5480	0.167	2	111.5480	0.028	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|Se<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7655	0.040	4	110.7655	0.002	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{4|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0035	0.006	2	111.0035	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.8550	0.024	2	111.8550	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2712	0.187	4	111.2712	0.035	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.4420	0.024	2	111.4420	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.2144	0.172	5	110.2144	0.029	5	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.4785	0.032	2	110.4785	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2845	0.201	4	111.2845	0.040	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1980	0.010	2	111.1980	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.9225	0.005	2	110.9225	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8365	0.063	2	110.8365	0.004	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Al<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1760	0.017	3	111.1760	0.000	3	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|B<4>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2880	0.021	2	111.2880	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0793	0.094	4	111.0793	0.009	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	H(C[5]C[5]N[5]H)	111.0513	0.092	10	111.1136	0.022	17	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){2|H<1>}	H(C[5]C[5]N[5]H)	111.0365	0.011	2	111.1136	0.022	17	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	111.2630	0.313	2	111.1136	0.022	17	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2730	0.074	3	111.1136	0.022	17	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH){3|H<1>}	H(C[5]C[5]N[5]H)	111.1005	0.037	2	111.1005	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){3|H<1>}	H(C[5]C[5]N[5]H)	111.1365	0.008	2	111.1365	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0813	0.120	6	111.0492	0.023	12	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){3|H<1>}	H(C[5]C[5]N[5]H)	111.0170	0.186	6	111.0492	0.023	12	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0800	0.056	4	111.0800	0.003	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9590	0.011	2	110.9590	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ga<4>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4575	0.036	2	111.4575	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0225	0.144	12	111.0225	0.021	12	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2365	0.029	4	111.2365	0.001	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2883	0.236	4	111.2883	0.056	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2756	0.146	16	111.2756	0.021	16	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2240	0.059	4	111.2240	0.003	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1045	0.043	2	111.1045	0.002	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2820	0.111	3	111.2820	0.012	3	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1230	0.041	2	111.1230	0.002	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2320	0.021	4	111.2320	0.000	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2758	0.055	8	111.2758	0.003	8	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9655	0.326	2	110.9655	0.106	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0240	0.025	2	111.1942	0.017	8	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	H(C[5]C[5]N[5]H)	111.2180	0.096	4	111.1942	0.017	8	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){2|H<1>}	H(C[5]C[5]N[5]H)	111.3170	0.030	2	111.1942	0.017	8	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH){3|H<1>}	H(C[5]C[5]N[5]H)	111.2940	0.027	2	111.2940	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0869	0.335	12	111.0869	0.112	12	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2542	0.338	12	111.0569	0.537	24	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	H(C[5]C[5]N[5]H)	111.2200	0.073	6	111.0569	0.537	24	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	H(C[5]C[5]N[5]H)	111.2285	0.035	2	111.0569	0.537	24	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9160	0.031	2	111.0569	0.537	24	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]H)	109.3525	2.131	2	111.0569	0.537	24	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1515	0.052	2	111.2505	0.030	101	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2845	0.019	2	111.2505	0.030	101	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2395	0.154	35	111.2505	0.030	101	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2587	0.190	62	111.2505	0.030	101	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<2>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5055	0.026	2	111.5055	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2201	0.064	7	111.2201	0.004	7	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){3|H<1>}	H(C[5]C[5]N[5]H)	111.0690	0.000	1	111.0690	0.000	1	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.1450	0.445	2	110.0173	1.545	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){3|H<1>}	H(C[5]C[5]N[5]H)	110.8895	1.180	2	110.0173	1.545	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3575	0.035	2	111.1915	0.037	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){3|H<1>}	H(C[5]C[5]N[5]H)	111.0255	0.005	2	111.1915	0.037	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2165	0.400	10	111.1601	0.086	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1044	0.086	7	111.1601	0.086	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){3|H<1>}	H(C[5]C[5]N[5]H)	111.0725	0.023	2	111.1601	0.086	19	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<2>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	108.7049	1.820	8	110.6275	2.143	77	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<3>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6647	1.983	21	110.6275	2.143	77	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<4>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1301	0.164	26	110.6275	2.143	77	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<6>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6970	1.071	22	110.6275	2.143	77	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2843	0.229	12	111.2843	0.052	12	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[5]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3490	0.018	2	111.3490	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4865	0.022	4	111.4865	0.001	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5613	0.070	4	111.5613	0.005	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1903	0.096	21	111.1903	0.009	21	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.5643	1.294	8	109.5643	1.674	8	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CN[5]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3894	0.218	8	111.3894	0.048	8	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3650	0.040	4	111.3650	0.002	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3125	0.125	19	111.2978	0.014	23	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<6>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2283	0.062	4	111.2978	0.014	23	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Re<5>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH){3|H<1>}	H(C[5]C[5]N[5]H)	111.3570	0.040	2	111.3570	0.002	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2940	0.031	2	111.2940	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8630	0.000	1	110.8630	0.000	1	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3085	0.013	2	111.3085	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4195	0.084	8	111.4195	0.007	8	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5883	0.110	6	111.5883	0.012	6	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3020	0.042	2	111.2309	0.004	9	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2106	0.058	7	111.2309	0.004	9	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2276	0.126	5	111.2276	0.016	5	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2770	0.025	2	111.0042	0.256	35	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	H(C[5]C[5]N[5]H)	109.0360	0.296	2	111.0042	0.256	35	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	H(C[5]C[5]N[5]H)	111.1136	0.107	31	111.0042	0.256	35	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2200	0.066	2	111.2200	0.004	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2150	0.018	2	111.2150	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1222	0.238	10	111.1222	0.056	10	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2813	0.117	3	111.1228	0.020	9	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){3|H<1>}	H(C[5]C[5]N[5]H)	111.0435	0.066	6	111.1228	0.020	9	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Se<2>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9382	0.139	4	110.9382	0.019	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Si<5>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3167	0.053	3	111.3167	0.003	3	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]U)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|U<8>}	N[5](C[5]C[5]HH)(C[5]N[5]U)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1763	0.035	3	111.1763	0.001	3	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]W)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|W<6>}	N[5](C[5]C[5]HH)(C[5]N[5]W)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]H)	111.2930	0.074	4	111.2930	0.006	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1795	0.006	2	111.1795	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2115	0.046	4	111.2692	0.009	6	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3845	0.008	2	111.2692	0.009	6	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2950	0.017	2	111.2950	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3805	0.039	2	111.3805	0.002	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3){2|H<1>}	H(C[5]C[5]N[5]H)	111.5745	0.056	2	111.5745	0.003	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]H)	111.6025	0.026	2	111.6025	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH){2|H<1>}	H(C[5]C[5]N[5]H)	111.5985	0.006	2	111.5985	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(C[5]C[5]N[5]H)	111.2698	0.682	56	111.2698	0.465	56	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH){2|H<1>}	H(C[5]C[5]N[5]H)	111.4880	0.040	3	111.4880	0.002	3	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|H<1>}	H(C[5]C[5]N[5]H)	111.5730	0.027	2	111.5730	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]H)	111.6190	0.062	2	111.6190	0.004	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH){2|H<1>}	H(C[5]C[5]N[5]H)	110.0777	0.499	3	110.0777	0.249	3	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	H(C[5]C[5]N[5]H)	110.4320	0.105	4	110.3237	0.035	6	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	H(C[5]C[5]N[5]H)	110.1070	0.041	2	110.3237	0.035	6	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO){2|H<1>}	H(C[5]C[5]N[5]H)	109.8230	0.000	1	109.8230	0.000	1	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	H(C[5]C[5]N[5]H)	110.0180	0.373	4	110.0180	0.139	4	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH){2|H<1>}	H(C[5]C[5]N[5]H)	109.6005	0.076	2	109.6005	0.006	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]H)	109.8543	0.174	3	109.8543	0.030	3	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO){2|H<1>}	H(C[5]C[5]N[5]H)	109.6565	0.023	2	109.6565	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH){2|H<1>}	H(C[5]C[5]N[5]H)	109.7865	0.008	2	109.7865	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH){2|H<1>}	H(C[5]C[5]N[5]H)	109.3655	0.059	2	109.3655	0.003	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH){2|H<1>}	H(C[5]C[5]N[5]H)	110.1175	0.012	2	110.1175	0.000	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]H)	109.7190	0.034	2	109.7190	0.001	2	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	H(C[5]C[5]N[5]H)	109.9130	0.100	4	109.9933	0.017	12	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<2>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	H(C[5]C[5]N[5]H)	110.0335	0.132	8	109.9933	0.017	12	110.9868	0.539	1100	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(PCCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(PCCO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7210	0.048	2	110.7210	0.002	2	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2093	0.038	3	111.2452	0.031	8	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4920	0.014	2	111.2452	0.031	8	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0395	0.050	2	111.2452	0.031	8	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2710	0.000	1	111.2452	0.031	8	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6100	0.011	2	111.0370	0.243	4	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4640	0.016	2	111.0370	0.243	4	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2955	0.035	4	111.2955	0.001	4	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a]OO){2|C<4>}	H(C[5]C[5]N[5]H)	111.3395	0.045	2	111.3395	0.002	2	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9390	0.007	2	110.9390	0.000	2	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6570	0.025	2	110.6570	0.001	2	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8645	0.011	2	110.8645	0.000	2	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2{1|N<2>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8120	0.035	2	110.8120	0.001	2	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1072	0.132	9	111.1072	0.017	9	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(SC[6a]OO){3|H<1>}	H(C[5]C[5]N[5]H)	111.0120	0.000	1	111.0120	0.000	1	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]C)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0170	0.000	1	111.0170	0.000	1	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]H)	110.4200	0.101	4	110.4200	0.010	4	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|S<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]H)	110.1975	0.052	2	110.1975	0.003	2	110.9784	0.123	45	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>}	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3484	0.064	8	110.3793	0.008	10	110.3793	0.008	10	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>}	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5030	0.051	2	110.3793	0.008	10	110.3793	0.008	10	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:Si[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2{1|C<4>,1|N<3>}	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2435	0.081	4	110.2435	0.007	4	110.2435	0.007	4	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2{1|C<4>}	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|C<4>}	H(C[5]Si[5]N[5]H)	108.9980	1.246	2	108.9980	1.552	2	110.2885	2.762	6	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2{1|C<4>}	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|Si<4>}	H(C[5]Si[5]N[5]H)	110.9338	1.556	4	110.9338	2.420	4	110.2885	2.762	6	110.9780	0.503	1295	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	110.3015	0.062	2	110.3015	0.004	2	110.2053	0.014	4	110.7503	0.200	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	110.1090	0.014	2	110.1090	0.000	2	110.2053	0.014	4	110.7503	0.200	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1265	0.026	2	111.1265	0.001	2	110.8541	0.167	21	110.7503	0.200	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)2(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(H){4|H<1>}	H(C[5]C[5]N[5]H)	110.6260	0.521	4	110.6260	0.271	4	110.8541	0.167	21	110.7503	0.200	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.0960	0.014	2	110.0960	0.000	2	110.8541	0.167	21	110.7503	0.200	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0835	0.155	11	111.0835	0.024	11	110.8541	0.167	21	110.7503	0.200	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5350	0.013	2	110.5350	0.000	2	110.8541	0.167	21	110.7503	0.200	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC){4|H<1>}	H(C[5]C[5]N[5]H)	111.1117	0.016	3	111.1117	0.000	3	111.2467	0.027	6	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CN){4|H<1>}	H(C[5]C[5]N[5]H)	111.3817	0.108	3	111.3817	0.012	3	111.2467	0.027	6	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	H(C[5]C[5]N[5]H)	111.0043	0.181	6	111.0043	0.033	6	111.3230	0.439	28	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5])	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5]){4|H<1>}	H(C[5]C[5]N[5]H)	111.2235	0.005	2	111.2235	0.000	2	111.3230	0.439	28	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	H(C[5]C[5]N[5]H)	110.4280	0.035	2	110.4280	0.001	2	111.3230	0.439	28	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)2(NN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(NN){4|H<1>}	H(C[5]C[5]N[5]H)	111.2316	0.104	14	111.2316	0.011	14	111.3230	0.439	28	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)2(NOs)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(NOs){4|H<1>}	H(C[5]C[5]N[5]H)	112.6180	0.910	4	112.6180	0.829	4	111.3230	0.439	28	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2	N[5](C[5]C[5]HH)(SC[6a]OO)(N[5]C[5])	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2{1|H<1>}	N[5](C[5]C[5]HH)(SC[6a]OO)(N[5]C[5]){3|H<1>}	H(C[5]C[5]N[5]H)	111.3705	0.030	2	111.3705	0.001	2	111.3705	0.001	2	111.3129	0.343	36	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3,3x5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO)	H(C[5]C[3,3x5]N[5]H)	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2{4|C<4>,4|H<1>}	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO){4|C<4>}	H(C[5]C[3,3x5]N[5]H)	108.4865	0.456	2	108.4865	0.208	2	108.4865	0.208	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO){1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.0400	0.013	2	111.0400	0.000	2	111.0915	0.002	6	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO){1|O<2>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.0990	0.025	2	111.0990	0.001	2	111.0915	0.002	6	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.1355	0.047	2	111.1355	0.002	2	111.0915	0.002	6	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[3x5,6]N[5]H)	111.0425	0.006	2	111.0425	0.000	2	111.0425	0.000	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO){1|Cl<1>,1|O<2>,2|C<4>}	H(C[5]C[3x5,6]N[5]H)	110.4510	1.704	2	110.4510	2.904	2	110.4510	2.904	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3x5]N[5]H)	110.7900	0.040	2	110.7900	0.002	2	110.7900	0.002	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)	H(C[5]C[4,5,5]N[5]H)	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,2|F<1>,4|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO){1|F<1>,3|C<4>}	H(C[5]C[4,5,5]N[5]H)	111.0585	0.012	2	111.0585	0.000	2	111.0585	0.000	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO){1|F<1>,3|C<4>}	H(C[5]C[4,5]N[5]H)	110.9910	0.011	2	110.9910	0.000	2	110.9910	0.000	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[4x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO)	H(C[5]C[4x5,6]N[5]H)	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2{4|H<1>,6|C<4>}	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO){4|C<4>}	H(C[5]C[4x5,6]N[5]H)	111.6795	0.445	2	111.6795	0.198	2	111.6795	0.198	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO){1|Cl<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]N[5]H)	111.5500	0.874	2	111.5500	0.764	2	110.8129	0.425	10	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]N[5]H)	110.4070	0.654	4	110.4070	0.428	4	110.8129	0.425	10	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(CC[6a]O)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.7655	0.006	2	110.7655	0.000	2	110.8129	0.425	10	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]N[5]H)	110.9350	0.014	2	110.9350	0.000	2	110.8129	0.425	10	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2{2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.5050	0.068	2	110.5050	0.005	2	110.5050	0.005	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5,5]CC)(C[5]C[5,5]HH)(CC[6a]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2{2|H<1>,5|C<4>}	N[5](C[5]C[3,5,5]CC)(C[5]C[5,5]HH)(CC[6a]O){1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.2695	0.022	2	111.2695	0.000	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]N[5]H)	111.0960	0.044	2	111.0960	0.002	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.0080	0.000	1	111.0080	0.000	1	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.7620	0.006	2	110.7620	0.000	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CCO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	N[5](C[5]C[5,5]HH)2(CCO){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]N[5]H)	108.6210	0.752	2	108.6210	0.566	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]H)	111.0770	0.010	2	111.0770	0.000	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(CC[6a]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(CC[6a]O){1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]N[5]H)	111.2900	0.288	3	111.2900	0.083	3	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]N[5]H)	110.7815	0.006	2	110.7815	0.000	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CCO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,3|H<1>}	N[5](C[5]C[5,5]HH)2(CCO){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]N[5]H)	108.6630	2.984	2	108.6630	8.904	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.9920	0.006	2	110.9920	0.000	2	110.5701	1.517	20	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.8285	0.042	2	110.8285	0.002	2	110.8723	0.004	4	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2{1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.9160	0.038	2	110.9160	0.001	2	110.8723	0.004	4	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.3970	0.027	2	110.3970	0.001	2	110.3662	2.049	4	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.3355	2.478	2	110.3355	6.143	2	110.3662	2.049	4	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(H)2	N[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.8645	0.030	2	110.8645	0.001	2	110.8645	0.001	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|B<4>,2|C<4>,2|H<1>,3|C<3>}	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.3320	0.078	2	110.3320	0.006	2	110.3428	0.005	6	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.3483	0.079	4	110.3483	0.006	4	110.3428	0.005	6	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]N[5]H)	110.5687	0.020	4	110.5687	0.000	4	110.5687	0.000	4	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|I<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO){1|I<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.2570	0.044	2	111.2570	0.002	2	111.2570	0.002	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.2550	0.000	1	111.2550	0.000	1	111.1637	0.092	11	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)2(CCO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(CCO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9775	0.280	4	110.9775	0.078	4	111.1637	0.092	11	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)2(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(COO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.5890	0.034	2	111.4485	0.032	4	111.1637	0.092	11	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)2(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{3|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)2(COO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3080	0.120	2	111.4485	0.032	4	111.1637	0.092	11	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9210	0.041	2	110.9210	0.002	2	111.1637	0.092	11	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.2300	0.045	2	111.2300	0.002	2	111.1353	0.021	27	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.0384	0.147	11	111.0384	0.022	11	111.1353	0.021	27	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.1979	0.110	14	111.1979	0.012	14	111.1353	0.021	27	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2	N[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(COO){1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	110.9565	0.035	2	110.9565	0.001	2	110.9565	0.001	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.2040	0.065	4	111.2040	0.004	4	111.2040	0.004	4	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2180	0.024	2	111.2310	0.002	6	111.2753	0.005	10	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2375	0.052	4	111.2310	0.002	6	111.2753	0.005	10	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{1|H<1>,3|C<4>}	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CC[6a]O){5|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.3417	0.050	4	111.3417	0.003	4	111.2753	0.005	10	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	109.9553	2.160	4	109.9553	4.666	4	110.2165	2.963	6	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.7390	0.030	2	110.7390	0.001	2	110.2165	2.963	6	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	108.7223	1.438	4	108.7223	2.069	4	108.7223	2.069	4	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[3x5]C[6a]C[5])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,3|C<3>}	N[5](C[5,5]C[3x5]C[6a]C[5])(C[5]C[5]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9700	0.018	2	110.9700	0.000	2	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1875	0.006	2	111.1875	0.000	2	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8460	0.351	2	110.8460	0.123	2	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0960	0.020	2	111.1435	0.002	6	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1610	0.041	2	111.1435	0.002	6	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	111.1735	0.012	2	111.1435	0.002	6	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7730	0.023	2	110.7730	0.001	2	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3850	0.018	2	111.3850	0.000	2	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|N<3>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(CC[6a]O){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1030	0.000	1	111.1030	0.000	1	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(COO){1|F<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8290	0.040	2	110.8290	0.002	2	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|Br<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1215	0.026	2	111.2275	0.008	10	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2548	0.114	4	111.2275	0.008	10	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2125	0.006	2	111.2275	0.008	10	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2940	0.016	2	111.2275	0.008	10	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]N[5]H)	111.1440	0.034	2	111.1440	0.001	2	111.1132	0.036	31	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5305	2.278	6	110.5305	5.189	6	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.4365	1.991	2	110.4365	3.962	2	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9265	0.026	2	110.9265	0.001	2	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3065	0.028	2	111.3065	0.001	2	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2235	0.008	2	110.2516	1.579	16	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	108.6780	1.649	2	110.2516	1.579	16	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3190	0.006	2	110.2516	1.579	16	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9100	0.004	2	110.2516	1.579	16	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	109.9705	1.216	8	110.2516	1.579	16	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0100	0.008	2	111.1443	0.054	3	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4130	0.000	1	111.1443	0.054	3	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0925	0.023	2	111.0925	0.001	2	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0885	0.026	2	111.1205	0.002	4	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1525	0.011	2	111.1205	0.002	4	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0438	0.031	4	111.0438	0.001	4	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3125	0.039	2	111.3125	0.002	2	110.6848	1.450	43	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9895	0.025	2	110.9895	0.001	2	110.9895	0.001	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7450	0.013	2	110.7450	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9010	0.078	2	110.9010	0.006	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1650	0.000	1	111.1650	0.000	1	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8875	0.032	2	110.8875	0.001	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	N[5](C[5]C[5]HH)2(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1375	0.169	4	111.1375	0.029	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	109.7785	1.155	2	110.5650	0.666	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9582	0.217	4	110.5650	0.666	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1290	0.000	1	110.9800	0.017	3	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9055	0.012	2	110.9800	0.017	3	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0295	0.011	2	111.0295	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(COO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0485	0.005	2	111.0485	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8945	0.088	4	110.8945	0.008	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9725	0.019	2	110.9725	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.3970	0.308	2	110.3810	0.248	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.3650	0.805	2	110.3810	0.248	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CHO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CHO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	113.9985	9.359	2	113.9985	87.583	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2452	0.051	4	110.9615	1.027	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,3|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	110.3940	2.039	2	110.9615	1.027	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0430	0.311	4	111.0430	0.097	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1150	0.536	2	111.1150	0.287	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){1|Cl<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.5280	0.232	2	110.5280	0.054	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|F<1>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2930	0.017	2	111.2930	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|F<1>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5378	0.333	5	111.5378	0.111	5	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|B<3>,3|H<1>}	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO){2|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.0465	1.091	2	110.0465	1.190	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9278	0.055	4	110.9278	0.003	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8360	0.018	3	110.8360	0.000	3	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0450	0.016	2	110.9718	0.007	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8985	0.009	2	110.9718	0.007	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]O){2|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1442	0.057	4	111.1442	0.003	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){2|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2200	0.024	2	110.4082	1.223	16	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	109.3790	1.762	4	110.4082	1.223	16	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5]N[5]H)	109.7195	0.559	2	110.4082	1.223	16	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8921	0.221	8	110.4082	1.223	16	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|B<3>,3|H<1>}	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	109.0720	1.608	2	109.0720	2.586	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]H)	111.2470	0.000	1	107.8623	10.342	3	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	106.1700	1.871	2	107.8623	10.342	3	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1035	0.039	2	111.1035	0.002	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]H)	110.9262	0.025	6	110.8941	0.005	14	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8700	0.085	8	110.8941	0.005	14	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1035	0.016	2	111.1350	0.313	274	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1835	0.009	2	111.1350	0.313	274	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1394	0.588	246	111.1350	0.313	274	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3935	0.062	2	111.1350	0.313	274	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]H)	110.9778	0.153	11	111.1350	0.313	274	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1445	0.098	11	111.1350	0.313	274	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){4|H<1>}	H(C[5]C[5]N[5]H)	110.9813	0.139	4	110.9813	0.019	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[4,6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[4,6]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1070	0.154	4	111.1070	0.024	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.0955	1.377	32	111.0748	1.719	46	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.0276	1.195	14	111.0748	1.719	46	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8403	0.148	3	110.9575	0.047	11	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1025	0.153	6	110.9575	0.047	11	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	H(C[5]C[5]N[5]H)	110.6980	0.047	2	110.9575	0.047	11	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1260	0.000	1	111.0498	0.028	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.0243	0.194	3	111.0498	0.028	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1310	0.391	81	111.1518	0.173	89	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.3623	0.607	8	111.1518	0.173	89	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S){4|H<1>}	H(C[5]C[5]N[5]H)	108.3985	1.518	2	108.3985	2.305	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	H(C[5]C[5]N[5]H)	111.2345	1.874	4	111.0144	1.564	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	H(C[5]C[5]N[5]H)	110.7943	0.094	4	111.0144	1.564	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	H(C[5]C[5]N[5]H)	110.0989	2.255	8	110.0989	5.086	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9210	0.000	1	110.9210	0.000	1	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1256	0.585	60	111.0666	0.467	77	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	110.7633	1.024	14	111.0666	0.467	77	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3023	0.037	3	111.0666	0.467	77	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CPdN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CPdN){4|H<1>}	H(C[5]C[5]N[5]H)	110.8682	0.248	5	110.8682	0.061	5	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS){4|H<1>}	H(C[5]C[5]N[5]H)	110.8340	0.025	2	110.8340	0.001	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC){4|H<1>}	H(C[5]C[5]N[5]H)	111.1082	0.033	4	111.1082	0.001	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN){4|H<1>}	H(C[5]C[5]N[5]H)	110.9925	0.030	2	110.9925	0.001	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO){4|H<1>}	H(C[5]C[5]N[5]H)	110.9040	0.024	2	110.9040	0.001	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.0015	0.009	2	111.0015	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO){4|H<1>}	H(C[5]C[5]N[5]H)	110.2425	0.947	2	110.2425	0.896	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	108.5575	1.148	2	108.5575	1.317	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1634	0.070	8	111.1634	0.005	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|Br<1>,1|H<1>,1|O<2>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO){2|Br<1>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2710	0.008	2	111.2710	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	H(C[5]C[5]N[5]H)	110.8082	0.900	14	110.8082	0.809	14	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0551	0.163	20	111.0551	0.027	20	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(CCN){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1515	0.036	2	111.2173	0.036	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CCN){4|H<1>}	H(C[5]C[5]N[5]H)	111.2502	0.236	4	111.2173	0.036	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]H)	111.0567	0.236	67	111.0567	0.056	67	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[3]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[3]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1217	0.131	9	111.1217	0.017	9	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[4,6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[4,6]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.0773	0.044	3	111.0773	0.002	3	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[4]Cr)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[4]Cr){4|H<1>}	H(C[5]C[5]N[5]H)	110.8868	0.034	4	110.8868	0.001	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5,6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[5,6]O){4|H<1>}	H(C[5]C[5]N[5]H)	110.5880	0.962	4	110.5880	0.926	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5]C)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[5]C){4|H<1>}	H(C[5]C[5]N[5]H)	110.9470	0.048	4	110.9470	0.002	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5a]C)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[5a]C){4|H<1>}	H(C[5]C[5]N[5]H)	111.1043	0.090	4	111.1043	0.008	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[5a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.1408	0.174	40	111.1408	0.030	40	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.0887	0.199	19	111.0887	0.039	19	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]C)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]C){4|H<1>}	H(C[5]C[5]N[5]H)	110.3448	0.949	8	110.3448	0.901	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.3319	1.385	32	111.3319	1.919	32	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]S)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]S){4|H<1>}	H(C[5]C[5]N[5]H)	111.0652	0.115	29	111.0652	0.013	29	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	H(C[5]C[5]N[5]H)	111.0723	0.114	19	111.0723	0.013	19	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CNO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1058	0.106	18	111.1058	0.011	18	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	N[5](C[5]C[5]HH)2(CNS){3|H<1>}	H(C[5]C[5]N[5]H)	101.7739	10.174	2	110.7397	3.947	90	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	H(C[5]C[5]N[5]H)	110.9435	0.979	88	110.7397	3.947	90	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]2)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CN[5]2){4|H<1>}	H(C[5]C[5]N[5]H)	111.2802	0.051	4	111.2802	0.003	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]Ir)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CN[5]Ir){4|H<1>}	H(C[5]C[5]N[5]H)	111.0072	0.109	14	111.0072	0.012	14	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]N)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CN[5]N){4|H<1>}	H(C[5]C[5]N[5]H)	111.0670	0.094	9	111.0670	0.009	9	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]Rh)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CN[5]Rh){4|H<1>}	H(C[5]C[5]N[5]H)	110.8276	1.591	8	110.8276	2.531	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<4>,3|H<1>}	N[5](C[5]C[5]HH)2(COO){1|N<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2275	0.011	2	111.1639	0.009	9	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|P<4>,3|H<1>}	N[5](C[5]C[5]HH)2(COO){1|P<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0160	0.025	2	111.1639	0.009	9	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	N[5](C[5]C[5]HH)2(COO){1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1385	0.015	2	111.1639	0.009	9	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(COO){4|H<1>}	H(C[5]C[5]N[5]H)	111.2370	0.049	3	111.1639	0.009	9	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CPdN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CPdN){4|H<1>}	H(C[5]C[5]N[5]H)	111.0698	0.187	18	111.0698	0.035	18	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	N[5](C[5]C[5]HH)2(CSS){3|H<1>}	H(C[5]C[5]N[5]H)	109.9553	2.053	4	110.9462	0.507	80	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	H(C[5]C[5]N[5]H)	110.9983	0.557	76	110.9462	0.507	80	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSeC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CSeC){4|H<1>}	H(C[5]C[5]N[5]H)	111.2639	0.653	12	111.2639	0.426	12	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSeN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CSeN){4|H<1>}	H(C[5]C[5]N[5]H)	111.0871	0.134	12	111.0871	0.018	12	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Si<4>,3|H<1>}	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8165	0.018	2	110.8165	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Si<4>,3|H<1>}	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	110.7165	0.343	2	110.7165	0.118	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	107.1333	2.412	4	109.4776	6.015	10	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|S<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0405	0.096	6	109.4776	6.015	10	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1930	0.004	2	111.1930	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[5a]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1030	0.030	2	111.1030	0.001	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5124	0.726	5	110.5124	0.526	5	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9815	0.075	4	110.9815	0.006	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9337	0.065	7	110.9337	0.004	7	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0157	0.137	4	111.0157	0.019	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1805	0.016	2	111.0440	0.015	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0602	0.046	4	111.0440	0.015	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8750	0.004	2	111.0440	0.015	8	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|N<2>,3|H<1>}	H(C[5]C[5]N[5]H)	110.0452	0.352	4	110.0452	0.124	4	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(COO){1|N<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1395	0.015	2	111.1395	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.3435	0.025	2	111.1092	0.170	48	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.2202	0.114	4	111.1092	0.170	48	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0875	0.435	42	111.1092	0.170	48	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9939	0.082	9	110.9939	0.007	9	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1384	0.326	10	111.1384	0.106	10	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0005	0.198	11	111.0005	0.039	11	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	115.3500	1.260	2	115.3500	1.588	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|F<1>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2600	0.130	6	111.1556	0.018	25	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.1090	0.004	2	111.1556	0.018	25	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1666	0.080	14	111.1556	0.018	25	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	110.8425	0.021	2	111.1556	0.018	25	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0940	0.000	1	111.1556	0.018	25	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CCN){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0960	0.025	2	111.0960	0.001	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2112	0.020	4	111.2324	0.003	5	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(COO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	111.3170	0.000	1	111.2324	0.003	5	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	110.9735	0.012	2	110.9735	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(COO){1|P<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2325	0.040	2	111.2325	0.002	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(COO){1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9610	0.021	2	110.9610	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8415	0.005	2	110.8415	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9110	0.040	2	110.9110	0.002	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2365	0.030	2	111.2365	0.001	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2253	0.019	4	110.5343	1.522	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.1525	1.371	2	110.5343	1.522	6	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0257	0.066	3	111.0257	0.004	3	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9330	0.010	2	110.9330	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.4670	0.014	2	111.4670	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4700	0.021	2	111.4700	0.000	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO){2|H<1>}	H(C[5]C[5]N[5]H)	110.2085	0.203	2	110.2085	0.041	2	111.0107	0.834	1419	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2Fe)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2Fe)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.2280	0.013	2	111.2280	0.000	2	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0135	0.046	2	111.0135	0.002	2	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	110.9193	0.011	3	110.9730	0.004	7	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0132	0.043	4	110.9730	0.004	7	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]N[5]2)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|N<3>,4|H<1>}	N[5](C[5]C[5]HH)2(C[5]N[5]2){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1775	0.076	8	111.1775	0.006	8	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.4020	0.754	2	110.4020	0.568	2	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|Pd<4>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]2C)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8560	0.103	4	110.8560	0.011	4	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1782	0.115	4	111.1782	0.013	4	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4668	0.038	4	111.4668	0.001	4	111.0764	0.084	33	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO){4|H<1>}	H(C[5]C[5]N[5]H)	111.3815	0.043	2	111.3815	0.002	2	111.0282	0.114	5	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)2(NRuH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(NRuH){4|H<1>}	H(C[5]C[5]N[5]H)	110.7927	0.141	3	110.7927	0.020	3	111.0282	0.114	5	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P-4:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)(PC[6a]2Pt)(C[5]O[5]C)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(PC[6a]2Pt)(C[5]O[5]C){2|H<1>}	H(C[5]C[5]N[5]H)	111.7675	0.060	2	111.7675	0.004	2	111.7675	0.004	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2{2|O<1>}	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	109.3540	0.089	4	109.3540	0.008	4	110.2122	0.846	8	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2{2|O<1>}	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0705	0.032	4	111.0705	0.001	4	110.2122	0.846	8	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCC)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,1|C<3>,1|C<4>}	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.7445	0.083	2	109.7445	0.007	2	109.7445	0.007	2	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO)	H(C[5]Si[5]N[5]H)	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO){2|C<4>,2|H<1>}	H(C[5]Si[5]N[5]H)	110.3853	0.151	3	110.3853	0.023	3	110.3853	0.023	3	110.9821	0.821	1687	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[3x5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[3x5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3x5,6]N[5]H)	110.9870	0.020	2	110.9870	0.000	2	110.9870	0.000	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[3x5,6]N[5]H)	111.0820	0.007	2	111.0820	0.000	2	111.0820	0.000	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]N[5]H)	110.9110	0.016	2	110.9110	0.000	2	110.9110	0.000	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2	N[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2{1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(SC[6a]OO){2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]N[5]H)	111.1040	0.034	2	111.1040	0.001	2	111.1040	0.001	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.9000	0.034	2	111.9000	0.001	2	111.3850	0.326	8	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.7475	0.028	2	111.7475	0.001	2	111.3850	0.326	8	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3695	0.018	2	111.3695	0.000	2	111.3850	0.326	8	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	110.5230	0.008	2	110.5230	0.000	2	111.3850	0.326	8	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2650	0.020	2	111.2650	0.000	2	111.2650	0.000	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1900	0.051	2	111.1900	0.003	2	111.1900	0.003	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3360	0.097	5	111.3360	0.009	5	111.3360	0.009	5	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0610	0.132	4	111.0610	0.018	4	111.1431	0.019	24	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8985	0.081	2	110.8985	0.007	2	111.1431	0.019	24	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CAlNN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CAlNN){4|H<1>}	H(C[5]C[5]N[5]H)	111.1492	0.064	5	111.1492	0.004	5	111.1431	0.019	24	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CMgNN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CMgNN){4|H<1>}	H(C[5]C[5]N[5]H)	111.1790	0.123	10	111.1790	0.015	10	111.1431	0.019	24	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2860	0.051	3	111.2860	0.003	3	111.1431	0.019	24	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PN[5]2O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PN[5]2O){4|H<1>}	H(C[5]C[5]N[5]H)	110.5135	0.015	2	110.5135	0.000	2	110.8232	0.139	48	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PCHW)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PCHW){4|H<1>}	H(C[5]C[5]N[5]H)	110.9772	0.033	4	110.9772	0.001	4	110.8232	0.139	48	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PCoOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PCoOO){4|H<1>}	H(C[5]C[5]N[5]H)	110.6058	0.366	4	110.6058	0.134	4	110.8232	0.139	48	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2I)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]2I){4|H<1>}	H(C[5]C[5]N[5]H)	111.0564	0.111	8	111.0564	0.012	8	110.8232	0.139	48	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2N)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]2N){4|H<1>}	H(C[5]C[5]N[5]H)	110.6163	0.530	15	110.6163	0.281	15	110.8232	0.139	48	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]NN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]NN){4|H<1>}	H(C[5]C[5]N[5]H)	110.9640	0.139	15	110.9640	0.019	15	110.8232	0.139	48	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0230	0.028	2	111.0230	0.001	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1120	0.000	1	111.1120	0.000	1	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.2875	0.008	2	111.2875	0.000	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SNOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SNOO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2760	0.038	2	111.2760	0.001	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1015	0.032	2	111.1015	0.001	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0460	0.023	2	111.0460	0.001	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	111.3815	0.009	2	111.2294	0.033	5	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2225	0.015	2	111.2294	0.033	5	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	110.9390	0.000	1	111.2294	0.033	5	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	H(C[5]C[5]N[5]H)	110.9854	0.323	7	110.9854	0.104	7	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	111.3950	0.070	4	111.3950	0.005	4	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(SCOO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1497	0.146	4	111.1497	0.021	4	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1565	0.008	2	111.1565	0.000	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCOO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2430	0.000	1	111.2430	0.000	1	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2835	0.023	2	111.2835	0.001	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8790	0.057	2	110.8790	0.003	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.7025	0.006	2	111.7025	0.000	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SNOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SNOO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3365	0.022	2	111.3365	0.000	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7760	0.057	2	110.7760	0.003	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.7160	0.082	2	110.7160	0.007	2	111.1467	0.066	46	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|C<4>,1|O<2>}	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9060	0.053	4	109.9060	0.003	4	109.9060	0.003	4	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	In[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2	N[5](In[5,5]N[5,5]N[5]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2{1|N<3>,3|C<4>}	N[5](In[5,5]N[5,5]N[5]C)(C[5]C[5]HH)(SC[6a]OO){1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	109.8595	0.111	2	109.8595	0.012	2	109.8595	0.012	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,2|C<3>}	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.0550	0.161	2	110.0550	0.026	2	110.3379	0.091	20	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<3>,1|C<4>}	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2560	0.004	2	110.2560	0.000	2	110.3379	0.091	20	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6925	0.093	2	110.6925	0.009	2	110.3379	0.091	20	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Cl<1>,1|Pt<4>,1|C<4>}	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3850	0.055	2	110.3850	0.003	2	110.3379	0.091	20	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>,1|O<2>}	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.1244	0.181	8	110.1244	0.033	8	110.3379	0.091	20	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pd<4>,2|C<4>}	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7515	0.036	2	110.7515	0.001	2	110.3379	0.091	20	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,2|C<4>}	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7410	0.020	2	110.7410	0.000	2	110.3379	0.091	20	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2	N[5](P[5]C[6a]C[5]C[6])(C[5]C[5]HH)(PC[6a]2Pd)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2{2|C<3>,2|H<1>}	N[5](P[5]C[6a]C[5]C[6])(C[5]C[5]HH)(PC[6a]2Pd){2|C<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.2635	0.009	2	110.2635	0.000	2	110.2635	0.000	2	110.9191	0.207	171	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	H(C[5]C[5]N[5]H)	110.4735	0.045	2	110.4735	0.002	2	110.4735	0.002	2	110.5370	0.013	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-5:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ce<8>,1|C<4>,1|N<2>,1|N<3>}	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.5370	0.013	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:3:4:	4:	P[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO)	H(C[5]N[5]P[5]O)	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H){2|H<1>,4|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO){2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5]P[5]O)	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H){1|C<3>,1|N<2>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]O)	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	H(C[5]C[5,5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]N)	111.1337	0.319	3	111.1337	0.102	3	111.1178	0.051	5	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	H(C[5]C[5,5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]N)	111.0940	0.020	2	111.0940	0.000	2	111.1178	0.051	5	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]O)	111.8080	0.000	1	111.8080	0.000	1	111.2145	0.704	2	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]O)	110.6210	0.000	1	110.6210	0.000	1	111.2145	0.704	2	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]O)	111.2540	0.000	1	111.2540	0.000	1	111.7394	0.137	5	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]O)	111.7745	0.129	2	111.7745	0.017	2	111.7394	0.137	5	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]O)	111.9470	0.454	2	111.9470	0.206	2	111.7394	0.137	5	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H){1|C<4>,2|C<3>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]O)	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	111.3471	0.236	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]O)	109.6380	0.000	1	109.6380	0.000	1	109.6265	0.000	2	110.4041	0.887	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H){3|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]O)	109.6150	0.000	1	109.6150	0.000	1	109.6265	0.000	2	110.4041	0.887	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]O)	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	110.4041	0.887	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]N[5]O)	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	110.4041	0.887	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|N<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]O)	111.3895	0.176	2	111.3895	0.031	2	111.3895	0.031	2	110.4041	0.887	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]O)	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	110.4041	0.887	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	3:4:4:	4:	P[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	H(C[5]N[5]P[5]O)	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H){2|C<3>,6|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5]P[5]O)	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	110.4041	0.887	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|Si<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.2966	1.518	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(H){1|Si<4>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]O)	109.3830	0.000	1	109.3830	0.000	1	110.5877	1.355	7	110.2966	1.518	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	N[5](C[5]C[5]HO)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]HO)(C[5]N[5]C)(H){1|O<2>,2|H<1>}	H(C[5]C[5]N[5]O)	110.8722	1.171	4	110.8722	1.371	4	110.5877	1.355	7	110.2966	1.518	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	N[5](C[5]C[5]HO)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]HO)(C[5]N[5]S)(H){1|O<2>,2|H<1>}	H(C[5]C[5]N[5]O)	110.6210	1.496	2	110.6210	2.239	2	110.5877	1.355	7	110.2966	1.518	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H)	N[5](C[5]C[5]HS)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]S)	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]HS)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]S)	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	110.2966	1.518	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H)	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[6]N[5]O[5])	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	110.2966	1.518	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,5,6]N[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]O)	111.3985	0.141	2	111.3985	0.020	2	110.4658	1.029	6	110.8167	1.150	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,5,6]N[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]O)	108.6540	0.000	1	109.9995	0.839	4	110.4658	1.029	6	110.8167	1.150	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,5,6]N[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]O)	110.4480	0.228	3	109.9995	0.839	4	110.4658	1.029	6	110.8167	1.150	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H)	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]O)	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	110.8167	1.150	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO){1|S<2>,2|H<1>}	H(C[5]C[5]N[5]O)	111.3830	0.112	2	111.3830	0.012	2	111.3830	0.012	2	110.8167	1.150	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H)	N[5](C[5]C[5]HO)(C[5]N[5]C)(NOO)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H){1|C<4>}	N[5](C[5]C[5]HO)(C[5]N[5]C)(NOO){1|H<1>,1|O<2>}	H(C[5]C[5]N[5]O)	112.5940	0.000	1	112.5940	0.000	1	112.5940	0.000	1	110.8167	1.150	10	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]O)	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	109.9844	1.009	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:4:	4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH)	H(C[5]C[5,6,6]N[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[5]C[5,6,6]N[5]O)	108.6710	0.000	1	108.6710	0.000	1	109.5317	0.557	3	109.9844	1.009	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:4:	4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3)	H(C[5]C[5,6,6]N[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5,6,6]N[5]O)	109.9620	0.062	2	109.9620	0.004	2	109.5317	0.557	3	109.9844	1.009	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]N[5]O)	110.7755	0.388	2	110.7755	0.151	2	110.7755	0.151	2	109.9844	1.009	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:3:4:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]O)	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	109.9844	1.009	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]O)	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	114.6690	0.000	1	114.6690	0.000	1	111.6937	6.843	3	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	109.7550	0.000	1	109.7550	0.000	1	111.6937	6.843	3	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.6570	0.000	1	110.6570	0.000	1	111.6937	6.843	3	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO){4|H<1>}	H(C[5]C[5]N[5]N)	109.7780	0.000	1	109.7780	0.000	1	110.2053	0.508	3	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]HN)2(CC[6a]O)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	N[5](C[5]C[5]HN)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]N)	110.4190	0.861	2	110.4190	0.742	2	110.2053	0.508	3	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H){2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]O)	110.6340	0.000	1	110.6340	0.000	1	110.8305	0.077	2	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H)	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]O)	111.0270	0.000	1	111.0270	0.000	1	110.8305	0.077	2	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO){2|Br<1>,2|H<1>}	H(C[5]C[5]N[5]O)	111.3130	0.000	1	111.3130	0.000	1	110.8148	0.109	6	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]O)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]O)	110.4430	0.000	1	110.4430	0.000	1	110.8148	0.109	6	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]O)	110.7832	0.228	4	110.7832	0.052	4	110.8148	0.109	6	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO)	H(C[5]C[5]N[5]O[5])	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO){1|Fe<10>,1|O<1>,2|C<4>}	H(C[5]C[5]N[5]O[5])	110.1585	0.306	2	110.1585	0.094	2	110.1585	0.094	2	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O)	H(C[5]C[5]N[5]O[5])	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]O[5])	108.6630	0.000	1	108.6630	0.000	1	108.5645	0.019	2	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H)	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]N[5]O[5])	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	H(C[5]C[5]N[5]O[5])	108.4660	0.000	1	108.4660	0.000	1	108.5645	0.019	2	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H)	N[5](C[5]C[5]HS)(C[5]S[5]CC)(CCO)	H(C[5]C[5]N[5]S)	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H){2|C<4>}	N[5](C[5]C[5]HS)(C[5]S[5]CC)(CCO){2|C<4>}	H(C[5]C[5]N[5]S)	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H)	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O)	H(C[5]C[5]N[5]S[5])	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O){2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]N[5]S[5])	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O)	H(C[5]C[6]N[5]S[5])	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[6]N[5]S[5])	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.3310	1.725	22	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	107.5770	0.000	1	107.5770	0.000	1	107.7250	3.284	8	107.7250	3.284	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	108.3060	0.000	1	108.3060	0.000	1	107.7250	3.284	8	107.7250	3.284	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H){2|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	108.1405	0.477	2	108.1405	0.228	2	107.7250	3.284	8	107.7250	3.284	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H){1|H<1>,2|C<3>,3|O<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){3|H<1>,4|C<3>}	H(C[5]C[5]2N[5])	103.6280	0.000	1	103.6280	0.000	1	107.7250	3.284	8	107.7250	3.284	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	109.1220	0.000	1	109.1220	0.000	1	107.7250	3.284	8	107.7250	3.284	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2N[5])	109.5120	0.000	1	109.5120	0.000	1	107.7250	3.284	8	107.7250	3.284	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]S[5]O)(N[5]C[5]2)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	107.3740	0.000	1	107.3740	0.000	1	107.7250	3.284	8	107.7250	3.284	8	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H)	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.6483	0.587	3	107.6483	0.344	3	108.0747	0.957	4	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3540	0.000	1	109.3540	0.000	1	108.0747	0.957	4	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]S)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|S<1>,2|C<3>}	N[5](C[5]C[5,5]S)(C[5]C[5]CH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0710	0.000	1	109.0710	0.000	1	108.8725	0.099	4	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5650	0.000	1	108.5650	0.000	1	108.8725	0.099	4	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9270	0.396	2	108.9270	0.157	2	108.8725	0.099	4	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5950	0.000	1	109.4910	0.022	2	109.4910	0.022	2	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3870	0.000	1	109.4910	0.022	2	109.4910	0.022	2	108.8423	0.903	12	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:2:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H){5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.5625	0.136	2	110.5625	0.019	2	110.5625	0.019	2	110.5625	0.019	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|H<1>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:B[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO)	H(C[5]B[5]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO){2|H<1>,2|O<2>,3|C<3>}	H(C[5]B[5]C[5]N[5])	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|N<2>}	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.5495	0.278	2	110.5495	0.077	2	110.5495	0.077	2	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]C)	108.7320	0.000	1	108.7320	0.000	1	110.0317	1.284	3	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.5500	0.000	1	110.5500	0.000	1	110.0317	1.284	3	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.8130	0.000	1	110.8130	0.000	1	110.0317	1.284	3	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	111.7040	0.000	1	111.7040	0.000	1	110.9385	1.172	2	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){6|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.1730	0.000	1	110.1730	0.000	1	110.9385	1.172	2	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4140	0.000	1	109.4140	0.000	1	109.4544	0.147	10	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7243	0.115	3	109.7243	0.013	3	109.4544	0.147	10	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9090	0.133	2	108.9090	0.018	2	109.4544	0.147	10	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1010	0.000	1	110.1010	0.000	1	109.4544	0.147	10	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2660	0.000	1	109.2660	0.000	1	109.4544	0.147	10	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3920	0.000	1	109.3860	0.000	2	109.4544	0.147	10	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3800	0.000	1	109.3860	0.000	2	109.4544	0.147	10	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3887	1.026	3	108.3887	1.053	3	108.3887	1.053	3	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO)	H(C[5]N[5a]C[5]N[5])	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,2|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[5]N[5a]C[5]N[5])	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.5842	0.960	25	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5,5]CH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5,5]CH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	108.9270	0.008	2	108.9270	0.000	2	108.9270	0.000	2	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]N)	108.3840	0.109	2	108.3840	0.012	2	108.3840	0.012	2	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6270	0.361	2	108.6270	0.130	2	108.9787	0.432	6	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4020	0.000	1	109.4020	0.000	1	108.9787	0.432	6	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5320	0.000	1	109.5320	0.000	1	108.9787	0.432	6	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.6350	0.000	1	109.6350	0.000	1	108.9787	0.432	6	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.0490	0.000	1	108.0490	0.000	1	108.9787	0.432	6	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H){2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0995	0.155	2	110.0995	0.024	2	110.0995	0.024	2	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){1|O<2>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4710	0.000	1	109.4710	0.000	1	109.1183	0.134	3	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9420	0.286	2	108.9420	0.082	2	109.1183	0.134	3	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.3338	0.838	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]H)(COO)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]H)(COO)(H){1|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.8850	0.000	1	109.8850	0.000	1	110.0830	0.078	2	110.0830	0.078	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H){1|C<4>,2|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.2810	0.000	1	110.2810	0.000	1	110.0830	0.078	2	110.0830	0.078	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2)	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[6a]N[5])	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){2|C<3>,3|H<1>}	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	110.2730	0.000	1	110.2730	0.000	1	109.4465	1.257	4	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.9340	0.000	1	109.9340	0.000	1	109.4465	1.257	4	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.7895	1.409	2	108.7895	1.986	2	109.4465	1.257	4	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H){1|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.6100	0.000	1	111.6100	0.000	1	111.5500	0.007	3	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]O)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]O)(H){1|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5])(CC[6a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.5820	0.000	1	111.5820	0.000	1	111.5500	0.007	3	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CNO)(H){1|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){3|H<1>}	H(C[5]C[5]N[5]C)	111.4580	0.000	1	111.4580	0.000	1	111.5500	0.007	3	110.1503	1.654	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	B[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]B[5,5]C[6a]H)(C[5]O[5]C)(H)	H(C[5]B[5,5]C[6a]N[5])	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]B[5,5]C[6a]H)(C[5]O[5]C)(H){2|C<3>,2|O<2>}	H(C[5]B[5,5]C[6a]N[5])	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|S<2>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H){1|H<1>,1|S<2>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CN[5]O)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5]S)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CN[5]O)(H){1|N<3>,1|O<1>,1|S<1>,2|C<2>,2|C<3>}	N[5](C[5]C[5,5]CH)(C[5]C[5]S)(H){2|C<2>,2|C<3>}	H(C[5]C[5,5]N[5]C)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H)	N[5](C[5]C[5]2H)(C[5]N[5]N)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H){2|H<1>,2|N<3>,4|C<4>}	N[5](C[5]C[5]2H)(C[5]N[5]N)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(H){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7760	0.000	1	109.7760	0.000	1	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.8420	0.000	1	106.8420	0.000	1	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6480	0.000	1	108.6480	0.000	1	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ru<9>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8080	0.000	1	108.8080	0.000	1	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ir<8>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){1|Ir<8>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1520	0.000	2	109.7233	1.058	7	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	111.1030	0.000	1	109.7233	1.058	7	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1640	0.971	4	109.7233	1.058	7	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3880	0.419	3	109.3880	0.175	3	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1765	0.036	2	109.1765	0.001	2	109.2909	0.996	16	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	111.5133	0.678	3	111.5133	0.459	3	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	112.1140	0.000	1	112.1140	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(H){4|H<1>}	H(C[5]C[5]N[5]C)	109.0940	0.000	1	109.0940	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|N<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.9100	0.000	1	109.5799	0.383	49	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	109.5939	0.617	48	109.5799	0.383	49	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.7130	0.000	1	108.7130	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.7960	0.000	1	109.2390	0.392	2	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.6820	0.000	1	109.2390	0.392	2	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0400	0.000	1	110.0400	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H){1|S<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	113.4250	0.000	1	113.4250	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.6390	0.000	1	110.6390	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	111.1790	0.000	1	111.1790	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	110.2145	0.491	2	110.2145	0.242	2	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]N)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|N<3>}	N[5](C[5]C[5]CH)(C[5]S[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.5590	0.000	1	109.5590	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.6200	0.000	1	109.6200	0.000	1	109.8038	0.860	65	109.6799	0.917	85	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5]){3|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	109.1650	0.140	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.1650	0.140	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.0840	0.000	1	109.0840	0.000	1	109.1345	0.005	2	109.1650	0.140	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.1850	0.000	1	109.1850	0.000	1	109.1345	0.005	2	109.1650	0.140	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(NC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(NC){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	109.1650	0.140	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	109.1650	0.140	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CCO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){1|O<1>,3|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CCO){1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]C)	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[6a]C[5])(CNO)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[6a]C[5])(CNO)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3x5,6]N[5]C)	110.0035	0.414	2	110.0035	0.171	2	110.0035	0.171	2	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]N[5])	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(COO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(COO){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]C)	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	H(C[5]C[5,5]C[6a]N[5])	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H)	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H){1|H<1>,1|N<3>,2|O<1>,2|O<2>,4|C<3>}	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]C)	110.1150	0.000	1	110.1150	0.000	1	110.1150	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2)(C[5]O[5]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.6900	0.362	2	110.6900	0.131	2	110.9164	2.114	7	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|N<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	111.0450	0.000	1	111.0450	0.000	1	110.9164	2.114	7	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H){1|S<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	110.0860	0.000	1	110.0860	0.000	1	110.9164	2.114	7	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO){3|H<1>}	H(C[5]C[5]N[5]C)	109.5310	0.000	1	109.5310	0.000	1	110.9164	2.114	7	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(COO){3|H<1>}	H(C[5]C[5]N[5]C)	110.3700	0.000	1	110.3700	0.000	1	110.9164	2.114	7	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CNO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	114.0030	0.000	1	114.0030	0.000	1	110.9164	2.114	7	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H){3|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.3190	0.000	1	108.3190	0.000	1	109.8980	4.986	2	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H)	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	111.4770	0.000	1	111.4770	0.000	1	109.8980	4.986	2	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	107.3430	0.000	1	107.3430	0.000	1	108.5507	1.168	3	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1545	0.384	2	109.1545	0.147	2	108.5507	1.168	3	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4475	0.306	2	109.4475	0.094	2	109.4475	0.094	2	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:B[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si){1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6060	0.419	2	108.4883	0.721	6	108.8017	0.626	17	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	107.5160	0.040	2	108.4883	0.721	6	108.8017	0.626	17	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3430	0.216	2	108.4883	0.721	6	108.8017	0.626	17	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Pd)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5035	0.288	4	108.5035	0.083	4	108.8017	0.626	17	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6350	0.000	1	109.2407	0.644	7	108.8017	0.626	17	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3460	1.053	4	109.2407	0.644	7	108.8017	0.626	17	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3330	0.334	2	109.2407	0.644	7	108.8017	0.626	17	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[5]O)(COO)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]O)(COO){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]C[6]N[5])	109.5425	0.255	2	109.5425	0.065	2	109.5425	0.065	2	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	N[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|Pd<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5]C[6a]N[5])	109.7515	0.176	2	109.7515	0.031	2	109.7515	0.031	2	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO)	H(C[5]C[6a]N[5]P[5])	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO){1|Rh<6>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]P[5])	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.4513	1.347	46	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[6a]N[5])	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH)	H(C[5]C[3x5,6]C[5a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[3x5,6]C[5a]N[5])	108.9930	0.000	1	108.9930	0.000	1	108.8090	0.068	2	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH)	H(C[5]C[3x5,6]C[5a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[3x5,6]C[5a]N[5])	108.6250	0.000	1	108.6250	0.000	1	108.8090	0.068	2	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3x5,6]N[5]C)	110.0520	2.162	2	110.5527	3.090	3	110.5527	3.090	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H){1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3x5,6]N[5]C)	111.5540	0.000	1	110.5527	3.090	3	110.5527	3.090	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)(SC[6a]OO)	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[6a]N[5])	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.5110	0.000	2	108.5110	0.000	2	108.3153	0.115	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9240	0.000	1	107.9240	0.000	1	108.3153	0.115	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,5]C[6a]N[5])	109.1200	0.000	1	109.1200	0.000	1	109.3300	0.088	2	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,1|S<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(SC[6a]OO){4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.5400	0.000	1	109.5400	0.000	1	109.3300	0.088	2	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.3530	0.000	1	109.3530	0.000	1	108.5233	0.725	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.5650	0.000	1	108.1085	0.417	2	108.5233	0.725	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.6520	0.000	1	108.1085	0.417	2	108.5233	0.725	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H)	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>}	H(C[5]C[5,6]N[5]N)	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5,6]N[5]P)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]P)	104.5850	0.000	1	104.5850	0.000	1	104.5850	0.000	1	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2N[5])	110.7350	0.209	2	110.7350	0.044	2	110.3223	0.533	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2N[5])	109.4970	0.000	1	109.4970	0.000	1	110.3223	0.533	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	109.3030	0.000	1	109.3030	0.000	1	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8200	0.000	2	108.8200	0.000	2	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5073	0.738	3	109.5073	0.545	3	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7410	0.264	2	108.7410	0.070	2	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1150	0.000	1	108.1150	0.000	1	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3985	0.323	2	109.3985	0.104	2	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7960	0.328	2	108.7960	0.108	2	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6530	0.147	3	108.6530	0.022	3	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1920	0.000	1	109.1920	0.000	1	108.9766	0.253	17	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6920	0.000	1	109.8575	0.055	2	109.7491	0.173	7	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO){4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0230	0.000	1	109.8575	0.055	2	109.7491	0.173	7	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO){1|Fe<10>,1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5310	0.072	2	109.4520	0.021	3	109.7491	0.173	7	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO){1|Ru<10>,1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2940	0.000	1	109.4520	0.021	3	109.7491	0.173	7	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO){1|Pd<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6270	0.000	1	109.6270	0.000	1	109.7491	0.173	7	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5460	0.000	1	110.5460	0.000	1	109.7491	0.173	7	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8613	0.399	3	109.8613	0.159	3	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0600	0.000	1	109.0600	0.000	1	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3){4|H<1>}	H(C[5]C[5]N[5]C)	110.5280	0.252	2	110.5280	0.063	2	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.2830	0.000	2	109.8664	0.277	5	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.5887	0.515	3	109.8664	0.277	5	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.2380	0.247	4	109.2380	0.061	4	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH){4|H<1>}	H(C[5]C[5]N[5]C)	110.6400	0.000	1	110.6400	0.000	1	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	H(C[5]C[5]N[5]C)	110.6020	1.055	2	110.6020	1.113	2	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8000	0.000	1	108.8000	0.000	1	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.2510	0.571	4	110.2510	0.326	4	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.5910	0.000	1	110.5910	0.000	1	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.0500	0.000	1	109.0500	0.000	1	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2200	0.242	2	110.2200	0.058	2	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH){2|H<1>}	H(C[5]C[5]N[5]C)	109.7487	0.117	3	109.7487	0.014	3	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|H<1>}	H(C[5]C[5]N[5]C)	110.8350	0.000	1	110.8350	0.000	1	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	109.6840	0.000	1	109.6840	0.000	1	109.9212	0.410	32	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H){1|Pt<4>,2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5713	0.296	3	109.5713	0.087	3	109.5713	0.087	3	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	107.0325	0.261	2	107.0325	0.068	2	107.0325	0.068	2	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H)	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3){4|H<1>}	H(C[5]C[5]N[5]N)	110.2010	0.451	2	110.2010	0.204	2	110.2010	0.204	2	109.4612	1.058	86	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[6a]N[5])	109.2160	0.188	2	109.2160	0.035	2	109.2160	0.035	2	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H){2|H<1>,3|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]C)	108.7870	0.262	2	108.7870	0.068	2	108.7870	0.068	2	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5a]N[5])	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.3890	0.000	1	107.3890	0.000	1	107.4110	0.061	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.4220	0.349	2	107.4220	0.122	2	107.4110	0.061	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.3020	0.000	1	108.3020	0.000	1	107.5670	0.583	5	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.4060	0.000	1	108.4060	0.000	1	107.5670	0.583	5	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.1745	0.397	2	107.1745	0.157	2	107.5670	0.583	5	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.7780	0.000	1	106.7780	0.000	1	107.5670	0.583	5	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	109.4510	0.000	1	109.4510	0.000	1	109.4690	0.001	2	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	109.4870	0.000	1	109.4870	0.000	1	109.4690	0.001	2	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]C[5a]N[5])	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5a]N[5])	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]C[6a]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	110.0840	0.000	1	110.0840	0.000	1	108.1747	2.998	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	106.7060	0.000	1	106.7060	0.000	1	108.1747	2.998	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.7340	0.000	1	107.7340	0.000	1	108.1747	2.998	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]C)	107.5400	0.000	1	107.5400	0.000	1	108.7740	3.046	2	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	110.0080	0.000	1	110.0080	0.000	1	108.7740	3.046	2	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H){1|Cd<6>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(H){1|Cd<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5]C[6]N[5])	98.4238	0.000	1	98.4238	0.000	1	98.4238	0.000	1	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2420	0.000	1	108.2420	0.000	1	109.2900	1.162	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3960	0.000	1	110.3960	0.000	1	109.2900	1.162	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2320	0.000	1	109.2320	0.000	1	109.2900	1.162	3	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,5|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.9007	0.027	3	109.9007	0.001	3	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	107.5510	0.000	1	107.5360	0.320	3	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	107.5285	0.800	2	107.5360	0.320	3	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	111.0780	0.000	1	111.0780	0.000	1	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H)	N[5](C[5]C[5]CH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)2(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.4710	0.000	1	108.4710	0.000	1	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H){1|C<3>,1|P<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]C)	107.0580	0.000	1	107.0580	0.000	1	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|Si<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.8210	0.000	1	110.8210	0.000	1	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|F<1>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.3200	0.000	1	109.3200	0.000	1	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]N[5]C)	110.2985	0.161	2	110.2985	0.026	2	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]C)	107.5675	1.718	2	108.5260	1.507	6	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	107.8400	0.000	1	108.5260	1.507	6	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.3937	0.095	3	108.5260	1.507	6	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.2690	0.000	1	110.2690	0.000	1	109.0540	1.849	20	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	108.4352	3.719	49	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[6a]N[5])	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){5|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO){1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]C)	110.4510	0.000	1	110.4510	0.000	1	110.4035	0.005	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H){3|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO){1|O<2>,2|H<1>}	H(C[5]C[3,5]N[5]C)	110.3560	0.000	1	110.3560	0.000	1	110.4035	0.005	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(CC[6a]O)	H(C[5]C[5,5,6]N[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5,5,6]N[5]C)	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H)	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5]C[5,5,6]N[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]N[5]C)	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CCO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CCO){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(S[5]N[5,5]OO)(COO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[6a]N[5])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CC[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CC[5]O){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(COO)(H){2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]C)	109.5415	0.040	2	109.5415	0.002	2	109.5415	0.002	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H){1|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6]N[5]C)	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]N)	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:B[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H)	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]B[5]C[5]N[5])	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H){2|C<4>,4|H<1>}	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO){2|O<2>,4|H<1>}	H(C[5]B[5]C[5]N[5])	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,7|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2N[5])	109.4840	0.000	1	109.4840	0.000	1	109.2817	0.059	4	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<4>,2|O<1>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]O){2|N<3>,4|H<1>}	H(C[5]C[5]2N[5])	109.0895	0.166	2	109.0895	0.028	2	109.2817	0.059	4	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<4>,2|O<1>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){2|N<3>,4|H<1>}	H(C[5]C[5]2N[5])	109.4640	0.000	1	109.4640	0.000	1	109.2817	0.059	4	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CC[6a]O){1|C<4>,1|I<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3520	0.024	2	109.3520	0.001	2	109.3520	0.001	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:B-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H)	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]B)	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H){4|H<1>}	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]B)	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	H(C[5]C[5]N[5]C)	111.9380	0.286	2	111.9380	0.082	2	111.9380	0.082	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H){1|C<3>,1|N<3>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]CH)(CCO){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]C)	110.6685	0.194	2	110.6685	0.038	2	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.3000	0.000	1	110.3000	0.000	1	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO){1|C<2>,1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	109.3210	0.000	1	109.3210	0.000	1	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.8160	0.000	1	109.6013	1.280	3	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9940	0.590	2	109.6013	1.280	3	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.2590	0.000	1	110.4057	0.139	3	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.1280	0.000	1	110.4057	0.139	3	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.8300	0.000	1	110.4057	0.139	3	110.0979	0.577	10	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H){1|H<1>,1|N<2>,2|C<4>}	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.1410	0.000	1	110.1410	0.000	1	110.1980	0.062	3	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.4700	0.000	1	110.2265	0.119	2	110.1980	0.062	3	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9830	0.000	1	110.2265	0.119	2	110.1980	0.062	3	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	109.9695	0.572	6	109.9695	0.327	6	110.0512	0.411	11	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]O){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	109.5450	0.028	2	109.5450	0.001	2	110.0512	0.411	11	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.5390	0.000	1	110.1670	0.277	2	110.0512	0.411	11	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	109.7950	0.000	1	110.1670	0.277	2	110.0512	0.411	11	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)(CC[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	111.3220	0.000	1	111.3220	0.000	1	110.0512	0.411	11	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CC[5]O){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1240	0.000	1	110.1240	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	114.3130	0.000	1	114.3130	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8480	0.000	1	109.8480	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.3460	0.000	1	109.3460	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|F<1>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|F<1>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0390	0.000	1	110.0390	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|F<1>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|F<1>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6417	0.220	3	109.9420	0.238	6	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|F<1>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2423	0.526	3	109.9420	0.238	6	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	108.7910	0.000	1	108.7910	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]C)	111.8493	0.047	3	111.8493	0.002	3	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	108.4070	0.000	1	108.4070	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.8890	0.000	1	109.8890	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0580	0.574	3	109.7711	0.954	103	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	109.7625	0.987	100	109.7711	0.954	103	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	110.5590	0.759	4	110.2002	1.242	16	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.0807	1.214	12	110.2002	1.242	16	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.0820	0.783	2	110.0820	0.614	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9900	0.000	1	110.5023	1.593	42	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9885	0.911	6	110.5023	1.593	42	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.6051	1.317	35	110.5023	1.593	42	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	H(C[5]C[5]N[5]C)	110.4580	0.000	1	110.4580	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	110.0922	0.729	21	110.0922	0.531	21	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S){4|H<1>}	H(C[5]C[5]N[5]C)	109.3610	0.000	1	109.3610	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.0593	0.837	3	109.0593	0.700	3	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.2238	1.842	11	110.2238	3.395	11	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	111.3246	0.290	5	111.3246	0.084	5	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	109.9805	1.621	2	109.9805	2.629	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8330	0.445	2	110.0598	0.588	42	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|N<2>,3|H<1>}	H(C[5]C[5]N[5]C)	111.4825	1.292	2	110.0598	0.588	42	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9823	0.723	17	110.0598	0.588	42	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.0086	0.692	21	110.0598	0.588	42	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7637	0.453	6	109.8954	0.225	8	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){4|H<1>}	H(C[5]C[5]N[5]C)	110.2905	0.361	2	109.8954	0.225	8	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[4,6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[4,6]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.4205	0.040	2	110.4205	0.002	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	111.1010	0.000	1	111.9586	13.816	5	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]C)	112.1730	4.256	4	111.9586	13.816	5	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.5620	0.000	1	110.5620	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.9770	0.000	1	109.9770	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9960	0.000	1	110.0026	0.067	8	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.0036	0.280	7	110.0026	0.067	8	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	108.0170	0.000	1	108.0170	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	H(C[5]C[5]N[5]C)	109.5590	0.000	1	109.5590	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8416	0.507	8	109.8323	0.225	9	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.7580	0.000	1	109.8323	0.225	9	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CPdN)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CPdN){4|H<1>}	H(C[5]C[5]N[5]C)	110.4123	0.754	3	110.4123	0.569	3	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC){4|H<1>}	H(C[5]C[5]N[5]C)	111.0220	0.099	2	111.0220	0.010	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|P<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8880	0.000	1	108.8880	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.0907	0.289	4	109.8391	1.063	7	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	109.5037	1.663	3	109.8391	1.063	7	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.4470	0.000	1	110.4470	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(COO){4|H<1>}	H(C[5]C[5]N[5]C)	113.0430	0.000	1	113.0430	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.2745	0.846	2	109.2745	0.716	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[5]O){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0060	0.000	1	109.0060	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5375	0.298	2	109.8127	0.271	3	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3630	0.000	1	109.8127	0.271	3	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.8840	0.000	1	109.8840	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.1860	0.000	1	109.1860	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.5385	0.441	2	109.5385	0.194	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0330	0.000	1	110.0330	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.8570	0.000	1	109.8570	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){2|C<3>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.5037	0.442	6	110.5037	0.195	6	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){2|C<3>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.2255	0.149	2	110.2255	0.022	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8565	0.773	2	109.8565	0.597	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.0390	0.000	1	109.9230	0.027	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8070	0.000	1	109.9230	0.027	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.6100	0.099	2	110.6100	0.010	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.4620	0.000	1	110.4620	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	108.9350	0.000	1	108.9350	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	109.3780	0.000	1	109.3780	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	110.5455	0.077	2	110.5455	0.006	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	107.6812	2.853	6	107.6812	8.141	6	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6060	0.000	1	108.6060	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.5060	0.000	1	109.5060	0.000	1	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4762	1.074	9	108.4762	1.153	9	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H){2|C<4>,2|H<1>}	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3375	0.465	2	109.3375	0.216	2	109.9908	1.478	367	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO){4|H<1>}	H(C[5]C[5]N[5]C)	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[4]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]2H)(C[5]N[5]Rh)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]2H)(C[5]N[5]Rh){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2520	0.704	2	110.2520	0.496	2	110.2520	0.496	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO){4|H<1>}	H(C[5]C[5]N[5]N)	109.8310	0.000	1	109.8310	0.000	1	110.0635	0.108	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]N)	110.2960	0.000	1	110.2960	0.000	1	110.0635	0.108	2	109.9814	1.415	427	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2675	1.049	2	108.2675	1.100	2	108.2675	1.100	2	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.6580	0.000	1	110.6580	0.000	1	110.6683	0.300	8	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5380	0.000	1	109.5380	0.000	1	110.6683	0.300	8	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	H(C[5]C[5]N[5]C)	110.5610	0.000	1	110.5610	0.000	1	110.6683	0.300	8	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.7040	0.150	2	110.7040	0.022	2	110.6683	0.300	8	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	H(C[5]C[5]N[5]C)	111.0603	0.402	3	111.0603	0.162	3	110.6683	0.300	8	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H){1|C<4>,2|O<1>}	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	108.9830	0.000	1	108.9830	0.000	1	111.3825	11.515	2	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H)	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H){2|O<1>}	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	113.7820	0.000	1	113.7820	0.000	1	111.3825	11.515	2	110.3419	2.041	14	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]C)	108.9670	0.296	2	108.9670	0.087	2	108.9670	0.087	2	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]N[5]C)	108.9204	0.193	5	108.9204	0.037	5	108.9193	0.030	6	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]C)	108.9140	0.000	1	108.9140	0.000	1	108.9193	0.030	6	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H)	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H){1|C<4>,1|N<3>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.2823	0.663	4	108.2823	0.440	4	108.2823	0.440	4	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H){1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H){1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H){1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.2400	0.000	1	108.2400	0.000	1	108.6650	0.361	2	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H){2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0900	0.000	1	109.0900	0.000	1	108.6650	0.361	2	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]C[6]N[5])	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	108.7712	0.426	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H){5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]N[5]C)	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5373	0.287	6	109.5373	0.082	6	109.4217	1.070	10	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.2560	0.000	1	109.2560	0.000	1	109.4217	1.070	10	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.2780	0.000	1	110.2780	0.000	1	109.4217	1.070	10	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.7295	2.724	2	108.7295	7.423	2	109.4217	1.070	10	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	106.5335	0.892	2	106.5335	0.795	2	106.5335	0.795	2	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(B[5]O[5]Ir)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H){1|Ir<8>,1|N<3>,5|C<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(B[5]O[5]Ir){1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	108.7630	0.000	1	108.7630	0.000	1	108.6903	0.006	3	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	108.7020	0.000	1	108.6540	0.005	2	108.6903	0.006	3	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|H<1>,2|C<4>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	108.6060	0.000	1	108.6540	0.005	2	108.6903	0.006	3	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]Si)	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.0286	1.543	18	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	B[5,5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3)	H(C[5]B[5,5]N[5]C)	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3){2|C<3>,2|O<2>}	H(C[5]B[5,5]N[5]C)	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3){1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,6]N[5]C)	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H){1|C<3>,1|N<2>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	106.2480	0.000	1	106.2480	0.000	1	108.1608	2.166	4	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8260	0.000	1	109.8260	0.000	1	108.1608	2.166	4	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.4200	0.000	1	108.4200	0.000	1	108.1608	2.166	4	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1490	0.000	1	108.1490	0.000	1	108.1608	2.166	4	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H){2|C<3>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2580	0.000	1	110.2580	0.000	1	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.5590	0.000	1	109.5590	0.000	1	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8625	0.064	2	109.8625	0.004	2	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	111.0390	0.000	1	111.0390	0.000	1	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3740	0.000	1	110.3740	0.000	1	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.7285	0.012	2	110.7285	0.000	2	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7220	0.000	1	109.7220	0.000	1	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0980	0.000	1	110.0980	0.000	1	110.2232	0.241	10	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	H(C[5]C[3]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3]C[5]N[5])	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5]2N[5])	108.7140	0.000	1	108.7140	0.000	1	109.4394	0.501	5	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]C[5]2N[5])	109.9293	0.318	3	109.6208	0.448	4	109.4394	0.501	5	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|N<3>,5|H<1>}	H(C[5]C[5]2N[5])	108.6950	0.000	1	109.6208	0.448	4	109.4394	0.501	5	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]C[6]N[5])	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	P[5]-4:N[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](P[5]C[5,6a]RhO)(N[5]C[5,6a]C)(PRhCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	H(C[5]N[5]P[5]P)	C[5](P[5]C[5,6a]RhO)(N[5]C[5,6a]C)(PRhCC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH){1|Rh<6>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]N[5]P[5]P)	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.5185	1.053	26	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H){3|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:2:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H){1|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5980	0.000	1	109.5980	0.000	1	109.0180	0.673	2	109.0180	0.673	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:2:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H){1|C<4>}	N[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]O){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4380	0.000	1	108.4380	0.000	1	109.0180	0.673	2	109.0180	0.673	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]C)	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H)	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H){1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]N[5]C)	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]N[5]C)	109.4433	0.114	4	109.1874	0.233	7	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]C)	108.8463	0.611	3	109.1874	0.233	7	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]C)	109.4062	0.208	4	109.4640	0.050	7	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]C)	109.5410	0.261	3	109.4640	0.050	7	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]N[5]C)	109.1280	0.000	1	108.8233	0.197	4	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]C)	108.4100	0.000	1	108.8233	0.197	4	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]C)	108.4770	0.000	1	108.8233	0.197	4	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,4|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]N[5]C)	109.2780	0.000	1	108.8233	0.197	4	109.2141	0.196	18	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7780	0.505	2	109.7780	0.255	2	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0620	0.000	1	110.0620	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	109.4890	0.074	2	109.4890	0.005	2	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	109.4093	0.579	3	109.4093	0.336	3	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	108.1890	0.000	1	108.1890	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	110.0430	0.000	1	110.0430	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0780	0.000	1	109.0780	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.8810	0.000	1	110.8810	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	108.9405	0.320	2	108.9405	0.103	2	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	114.9940	0.000	1	114.9940	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.1440	0.076	2	109.1440	0.006	2	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|Si<4>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	108.6820	0.000	1	108.6820	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|Si<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.1470	0.000	1	110.1470	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H){1|O<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.4340	0.000	1	108.4340	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	107.0010	0.000	1	107.0010	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.6170	0.000	1	109.6170	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H){1|S<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	111.7145	1.421	2	111.7145	2.018	2	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	107.6860	0.000	1	107.6860	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.4770	0.000	1	111.4770	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){1|H<1>,1|N<2>}	N[5](C[5]C[5]CH)(C[5]N[5]N)(H){3|H<1>}	H(C[5]C[5]N[5]C)	109.4010	0.000	1	109.4010	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.1783	0.215	8	109.1783	0.046	8	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.7390	0.000	1	108.7390	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9215	0.705	2	110.0243	0.280	3	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.2300	0.000	1	110.0243	0.280	3	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.6580	0.000	1	109.6580	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.3340	0.000	1	109.3340	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.1000	0.000	1	109.1000	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(H){2|H<1>}	H(C[5]C[5]N[5]C)	110.4920	0.000	1	110.4920	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.6620	0.000	1	109.6620	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.7027	0.571	6	109.7027	0.327	6	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	110.1457	0.524	4	110.1457	0.274	4	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	114.5750	0.000	1	114.5750	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	115.4260	0.000	1	115.4260	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]N)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|N<2>}	N[5](C[5]C[5]CH)(C[5]S[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.2200	0.000	1	109.2200	0.000	1	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(H){2|H<1>}	H(C[5]C[5]N[5]C)	113.1420	1.133	2	113.1420	1.283	2	109.9464	2.585	59	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.1580	0.000	1	108.1580	0.000	1	108.4610	0.323	3	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H){2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1080	0.000	1	108.1080	0.000	1	108.4610	0.323	3	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|C<3>,1|F<1>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.1170	0.000	1	109.1170	0.000	1	108.4610	0.323	3	109.7066	2.068	82	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H){1|H<1>,1|N<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){1|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.5350	0.000	1	109.5350	0.000	1	109.1075	0.366	2	109.2447	0.239	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH){1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6800	0.000	1	108.6800	0.000	1	109.1075	0.366	2	109.2447	0.239	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC){2|C<3>}	H(C[5]C[5]N[5]C)	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.2447	0.239	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]C)	109.8215	0.243	2	109.8215	0.059	2	109.8215	0.059	2	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8100	0.000	1	109.8100	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	103.8100	0.000	1	103.8100	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|Si<4>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	108.1610	0.000	1	108.1610	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|O<2>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.3250	0.000	2	110.3250	0.000	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<3>}	H(C[5]C[5]N[5]C)	109.0786	0.677	5	109.0786	0.459	5	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|C<3>}	H(C[5]C[5]N[5]C)	109.8740	0.000	1	109.8740	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9122	0.504	11	109.9122	0.254	11	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[4]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[4]O){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9430	0.000	1	109.9430	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]O)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]S[5]O)(CNO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	108.7340	0.000	1	108.7340	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]N)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]CH)(C[5]N[5]N)(COO){3|H<1>}	H(C[5]C[5]N[5]C)	108.9660	0.000	1	108.9660	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5590	0.000	1	109.5590	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	H(C[5]C[5]N[5]C)	109.9806	3.646	8	109.9806	13.297	8	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5,6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5,6]O){2|C<4>}	H(C[5]C[5]N[5]C)	115.1230	0.000	1	115.1230	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|C<4>}	H(C[5]C[5]N[5]C)	115.7500	0.000	1	115.7500	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	H(C[5]C[5]N[5]C)	109.4400	0.326	3	109.4400	0.106	3	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	107.3510	0.000	1	107.3510	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	109.4560	0.147	2	109.4560	0.022	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	109.6770	0.000	1	109.6770	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCC)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCC){2|H<1>}	H(C[5]C[5]N[5]C)	109.3310	0.000	1	109.3310	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	109.1382	0.516	8	109.1382	0.267	8	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[3]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[3]O){2|H<1>}	H(C[5]C[5]N[5]C)	109.9050	0.000	1	109.9050	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[4,6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[4,6]O){2|H<1>}	H(C[5]C[5]N[5]C)	109.1410	0.358	2	109.1410	0.128	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]O){2|H<1>}	H(C[5]C[5]N[5]C)	109.4680	0.368	2	109.4680	0.135	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|H<1>}	H(C[5]C[5]N[5]C)	109.7070	0.202	2	109.7070	0.041	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	110.0340	0.451	2	110.0340	0.204	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(C[5]C[5]N[5]C)	111.2470	0.000	1	111.2470	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	109.6380	0.000	1	109.6380	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	110.1168	2.014	34	110.1168	4.057	34	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[3]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[3]O){2|H<1>}	H(C[5]C[5]N[5]C)	109.7630	0.000	1	109.7630	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[4,6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[4,6]O){2|H<1>}	H(C[5]C[5]N[5]C)	109.6470	0.694	4	109.6470	0.482	4	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5,6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5,6]O){2|H<1>}	H(C[5]C[5]N[5]C)	109.9055	0.108	2	109.9055	0.012	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]O){2|H<1>}	H(C[5]C[5]N[5]C)	110.6350	0.249	2	110.6350	0.062	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H){2|H<1>}	H(C[5]C[5]N[5]C)	109.2610	0.000	1	109.2610	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|H<1>}	H(C[5]C[5]N[5]C)	113.9315	1.828	2	113.9315	3.341	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]C)	110.5050	0.252	3	110.5050	0.064	3	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CNO){2|H<1>}	H(C[5]C[5]N[5]C)	111.1340	0.000	1	111.1340	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]O){2|H<1>}	H(C[5]C[5]N[5]C)	113.2710	0.000	1	113.2710	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|N<2>}	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]C)	110.5740	0.000	1	110.5740	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(C[5]C[5]N[5]C)	109.9370	0.000	1	109.9370	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	109.9230	0.000	1	109.9230	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.6030	0.000	1	110.6030	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[5,6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[5,6]O){2|H<1>}	H(C[5]C[5]N[5]C)	107.8000	0.000	1	107.8000	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	108.6573	0.962	6	108.6573	0.926	6	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	108.4175	0.327	2	108.4175	0.107	2	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]O)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]S[5]O)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	108.8910	0.000	1	108.8910	0.000	1	109.8578	3.442	128	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]2)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]2)(C[5]O[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]C)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]C){2|H<1>}	H(C[5]C[5]N[5]C)	103.2050	0.000	1	103.2050	0.000	1	103.2050	0.000	1	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SCN)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SCN){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.0310	0.000	1	109.0310	0.000	1	109.5840	0.612	2	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SCO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	110.1370	0.000	1	110.1370	0.000	1	109.5840	0.612	2	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7010	0.000	1	109.7010	0.000	1	109.7595	0.007	2	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8180	0.000	1	109.8180	0.000	1	109.7595	0.007	2	109.7994	3.571	136	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[3,5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H)	H(C[5]C[3,5,5]N[5]C)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5,5]N[5]C)	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3x5,6]N[5]C)	110.3880	0.000	1	110.1015	0.468	4	109.9594	0.452	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3x5,6]N[5]C)	110.0060	0.805	3	110.1015	0.468	4	109.9594	0.452	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3x5,6]N[5]C)	109.3910	0.000	1	109.3910	0.000	1	109.9594	0.452	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]N[5]C)	107.4980	0.000	1	107.4980	0.000	1	109.0928	0.847	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]N[5]C)	109.5490	0.154	2	109.5490	0.024	2	109.0928	0.847	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	H(C[5]C[5,5]N[5]C)	109.1420	0.000	1	109.1420	0.000	1	109.0928	0.847	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	H(C[5]C[5,5]N[5]C)	109.7260	0.000	1	109.7260	0.000	1	109.0928	0.847	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	108.8035	0.407	2	108.8035	0.165	2	109.3404	0.956	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	110.3620	0.232	2	109.6983	1.348	3	109.3404	0.956	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	108.3710	0.000	1	109.6983	1.348	3	109.3404	0.956	5	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.5470	0.000	1	108.5470	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){4|H<1>}	H(C[5]C[5]N[5]C)	110.0970	0.000	1	110.0970	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.2060	0.000	1	109.2060	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.5915	0.063	2	109.5915	0.004	2	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4610	0.000	1	109.4610	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){4|H<1>}	H(C[5]C[5]N[5]C)	109.0020	0.040	2	109.0020	0.002	2	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.3747	0.197	3	109.3747	0.039	3	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1250	0.000	1	109.1250	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7860	0.000	1	108.7860	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0910	0.000	1	110.0910	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6810	0.000	1	108.6810	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|C<3>}	H(C[5]C[5]N[5]C)	109.1615	1.129	4	109.1615	1.276	4	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|C<3>}	H(C[5]C[5]N[5]C)	110.1555	0.771	4	110.1555	0.594	4	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2009	0.539	7	109.2009	0.290	7	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.4415	0.180	2	108.2958	0.117	5	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.1987	0.427	3	108.2958	0.117	5	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]Ru)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H){1|Ru<5>,1|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]Ru)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	107.8805	0.151	2	107.8805	0.023	2	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.2768	0.228	5	110.2768	0.052	5	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.7120	0.000	1	109.7120	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4660	0.140	2	108.4660	0.020	2	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]Pd)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|Pd<4>,1|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]Pd)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2690	0.000	1	110.2690	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5120	0.000	1	109.5120	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>}	H(C[5]C[5]N[5]C)	109.3670	0.000	1	109.3670	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.4375	0.746	2	110.4375	0.557	2	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	109.6925	0.139	2	109.6925	0.019	2	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS){2|H<1>}	H(C[5]C[5]N[5]C)	106.7100	0.000	1	106.7100	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	110.2030	0.000	1	110.2030	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|H<1>}	H(C[5]C[5]N[5]C)	109.2670	0.000	1	109.2670	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	109.4960	0.000	1	109.4960	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	110.0280	0.000	1	110.0280	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H){1|S<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	113.7920	0.000	1	113.7920	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	108.9280	0.000	1	108.9280	0.000	1	109.3912	1.067	59	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:P-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(PC[6a]CO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(PC[6a]CO){2|C<4>}	H(C[5]C[5]N[5]C)	109.0645	0.583	2	109.0645	0.340	2	109.0645	0.340	2	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO){3|H<1>}	H(C[5]C[5]N[5]C)	107.1390	0.000	1	107.1390	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|Br<1>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){1|Br<1>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9910	0.000	1	109.9910	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.2260	0.000	1	109.2260	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]C)	109.0900	0.000	1	109.0900	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.1470	0.141	2	110.1470	0.020	2	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.8230	0.365	2	109.8230	0.133	2	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9585	1.117	2	109.9585	1.247	2	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	111.1570	0.000	1	111.1570	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SO3)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SO3){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.7520	0.000	1	109.7520	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	109.6360	0.299	3	109.6360	0.090	3	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	109.4095	0.578	4	109.4095	0.335	4	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	109.9430	0.076	2	109.9430	0.006	2	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SNOO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SNOO){2|H<1>}	H(C[5]C[5]N[5]C)	110.2820	0.000	1	110.2820	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	109.8360	0.000	1	109.8360	0.000	1	109.6853	0.606	23	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	H(C[5]C[5]2N[5])	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H)	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]N[5]S)	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]S)	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	109.4711	0.912	102	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H){1|S<2>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	H(C[5]C[5]N[5]C)	108.7670	0.000	1	108.7670	0.000	1	109.6480	1.552	2	109.3460	2.185	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.5290	0.000	1	110.5290	0.000	1	109.6480	1.552	2	109.3460	2.185	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	109.3460	2.185	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H)	H(C[5]C[5]N[5]P)	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]P)	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	109.3460	2.185	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	H(C[5]C[5]N[5]C)	109.1293	1.145	3	109.1293	1.312	3	109.1084	0.884	5	109.2263	0.791	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5]){4|H<1>}	H(C[5]C[5]N[5]C)	108.4030	0.000	1	108.4030	0.000	1	109.1084	0.884	5	109.2263	0.791	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	H(C[5]C[5]N[5]C)	109.7510	0.000	1	109.7510	0.000	1	109.1084	0.884	5	109.2263	0.791	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H){1|C<3>}	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.2263	0.791	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[3x5,6]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO)	H(C[5]C[3x5,6]N[5]P)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3x5,6]N[5]P)	109.5230	2.679	2	109.5230	7.174	2	109.5230	7.174	2	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.8430	0.000	1	108.8430	0.000	1	108.8289	0.556	8	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.5220	0.000	1	108.5220	0.000	1	108.8289	0.556	8	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.7510	0.201	2	108.7510	0.040	2	108.8289	0.556	8	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,5]N[5]C)	108.9250	0.000	1	108.9250	0.000	1	108.8289	0.556	8	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5,5]CH)2(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)2(COO){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]C)	107.4890	0.000	1	107.4890	0.000	1	108.8289	0.556	8	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[5,5]CH)2(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)2(COO){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]C)	109.1700	0.000	1	109.1700	0.000	1	108.8289	0.556	8	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	110.1800	0.000	1	110.1800	0.000	1	108.8289	0.556	8	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	107.9440	0.000	1	107.9440	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5485	0.301	2	109.5485	0.090	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7730	0.000	1	109.7730	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	107.6720	0.000	1	107.6720	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H)	N[5](C[5]C[5]CH)2(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	113.9640	0.000	1	113.9640	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	H(C[5]C[5]N[5]C)	107.1005	0.391	2	107.1005	0.153	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	115.2810	0.338	2	115.2810	0.114	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.5270	0.129	2	110.5270	0.017	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.1980	0.000	1	109.1980	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0410	0.000	1	109.3940	0.249	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.7470	0.000	1	109.3940	0.249	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	107.2590	0.000	1	108.4695	2.931	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6800	0.000	1	108.4695	2.931	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.6250	0.000	1	109.6250	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.5010	0.000	1	109.6585	0.050	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8160	0.000	1	109.6585	0.050	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6423	1.247	3	108.6423	1.555	3	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.4280	0.000	1	110.4280	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	109.2220	0.000	1	109.2220	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.8720	0.000	1	109.8720	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	108.5310	0.000	1	108.5310	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]C)	109.3730	0.000	1	109.3730	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]C)	108.3130	0.000	1	108.3130	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.9540	0.000	1	109.9540	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]C)	108.8740	0.000	1	108.8740	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	109.7490	0.000	1	109.7490	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.6180	0.000	1	109.6180	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]C)	110.1175	0.054	2	110.1175	0.003	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2910	0.000	1	109.1450	0.043	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9990	0.000	1	109.1450	0.043	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	H(C[5]C[5]N[5]C)	108.5090	0.501	2	108.5090	0.251	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN){4|H<1>}	H(C[5]C[5]N[5]C)	109.9970	0.000	1	109.9970	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.9890	0.000	1	109.9890	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7340	0.000	1	109.6005	0.019	4	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.5560	0.130	3	109.6005	0.019	4	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.1410	0.000	1	110.1410	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	H(C[5]C[5]N[5]C)	110.4350	0.004	2	110.4350	0.000	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.5080	0.037	2	110.5080	0.001	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.8390	0.928	6	109.8390	0.861	6	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.1535	0.715	2	110.1535	0.511	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	110.1553	1.003	3	110.1553	1.006	3	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7880	0.000	1	109.7880	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	110.2695	0.083	2	110.2695	0.007	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS){4|H<1>}	H(C[5]C[5]N[5]C)	109.0090	0.000	1	109.0090	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	114.8100	0.330	2	114.8100	0.109	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	107.2040	0.000	1	107.2040	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[5]N[5]C)	110.8285	0.192	2	110.8285	0.037	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1210	0.167	2	109.1210	0.028	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]C)	108.9060	0.000	1	108.7465	0.051	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	108.5870	0.000	1	108.7465	0.051	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CCO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4610	0.000	1	109.4610	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4595	0.047	2	109.4595	0.002	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.5180	0.000	1	109.5180	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6095	0.781	2	109.5323	0.384	4	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)2(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)2(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4550	0.718	2	109.5323	0.384	4	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){2|C<4>}	H(C[5]C[5]N[5]C)	111.0170	0.000	2	111.0170	0.000	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.1260	0.000	1	110.1260	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.0500	0.000	1	110.0500	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.3520	0.000	1	110.3520	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	108.6650	0.000	1	108.6650	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.2295	0.412	2	110.2295	0.170	2	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.2600	0.588	4	110.2600	0.346	4	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.5270	0.395	7	110.5270	0.156	7	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6920	0.000	1	108.6920	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	108.8950	0.000	1	108.8950	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.5960	0.000	1	110.5960	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.3530	0.000	1	110.3530	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]C)	110.9310	0.000	1	110.9310	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	109.4580	0.000	1	109.4580	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.0640	0.000	1	110.0640	0.000	1	109.8958	2.026	108	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	H(C[5]C[5]N[5]P)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]P)	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H){4|H<1>}	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH){4|H<1>}	H(C[5]C[5]N[5]Si)	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	109.8022	1.954	123	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PN[5]2O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PN[5]2O){4|H<1>}	H(C[5]C[5]N[5]C)	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4890	0.000	1	109.4890	0.000	1	109.8440	0.112	3	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1550	0.000	1	110.1550	0.000	1	109.8440	0.112	3	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8880	0.000	1	109.8880	0.000	1	109.8440	0.112	3	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	108.5660	0.000	1	108.5660	0.000	1	108.9720	0.330	2	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.3780	0.000	1	109.3780	0.000	1	108.9720	0.330	2	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	P[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H)	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H){1|H<1>,2|N<3>,4|C<3>}	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	107.4100	0.272	2	107.4100	0.074	2	107.4100	0.074	2	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.3850	0.517	3	109.3850	0.267	3	109.3850	0.267	3	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:P[5,5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5]C[6]N[5])	107.7280	0.000	1	107.7280	0.000	1	107.7280	0.000	1	108.8759	0.938	13	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]2N[5])	107.8220	0.000	1	107.8220	0.000	1	107.6940	1.575	4	107.6940	1.575	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	109.3740	0.000	1	109.3740	0.000	1	107.6940	1.575	4	107.6940	1.575	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[5]C[5]2H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2N[5])	106.4350	0.000	1	106.4350	0.000	1	107.6940	1.575	4	107.6940	1.575	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5]2N[5])	107.1450	0.000	1	107.1450	0.000	1	107.6940	1.575	4	107.6940	1.575	4	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5]2H)(N[5]C[5])(CCO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(N[5]C[5])(CCO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	109.6080	0.000	1	109.6080	0.000	1	110.1650	0.620	2	109.9168	0.284	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5]2H)(N[5]C[5])(CSS)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(N[5]C[5])(CSS){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	110.7220	0.000	1	110.7220	0.000	1	110.1650	0.620	2	109.9168	0.284	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2N[5])	109.4860	0.000	1	109.5250	0.003	2	109.5250	0.003	2	109.9168	0.284	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2N[5])	109.5640	0.000	1	109.5250	0.003	2	109.5250	0.003	2	109.9168	0.284	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]C[6]N[5])	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	109.9168	0.284	5	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.8740	0.000	1	110.8740	0.000	1	110.7785	1.613	4	110.1112	1.825	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	110.0120	0.000	1	110.0120	0.000	1	110.7785	1.613	4	110.1112	1.825	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	112.5310	0.000	1	112.5310	0.000	1	110.7785	1.613	4	110.1112	1.825	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.6970	0.000	1	109.6970	0.000	1	110.7785	1.613	4	110.1112	1.825	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[5]2H)(C[5]O[5]O)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5]2H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2N[5])	110.3270	0.761	3	110.3270	0.579	3	110.0505	0.692	4	110.1112	1.825	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[5]2H)(C[5]O[5]O)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]2H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2N[5])	109.2210	0.000	1	109.2210	0.000	1	110.0505	0.692	4	110.1112	1.825	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H)	N[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]C[6]N[5])	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	110.1112	1.825	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]N[5])	110.8289	0.484	8	110.8289	0.234	8	110.8289	0.234	8	110.6249	0.580	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]N[5]H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,6|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	H(C[5]C[5]2N[5])	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	110.6249	0.580	9	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	H(C[5]C[5]2N[5])	109.3530	0.000	1	109.1015	0.127	2	108.4963	0.754	4	108.4137	0.453	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	H(C[5]C[5]2N[5])	108.8500	0.000	1	109.1015	0.127	2	108.4963	0.754	4	108.4137	0.453	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5]2N[5])	107.3120	0.000	1	107.3120	0.000	1	108.4963	0.754	4	108.4137	0.453	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	108.4700	0.000	1	108.4700	0.000	1	108.4963	0.754	4	108.4137	0.453	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:P[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2Fe)(P[5]N[5]CW)(N[5]C[5]C)(H)	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]P[5])	C[5](C[5]C[5]2Fe)(P[5]N[5]CW)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3){1|Fe<10>,1|W<6>,3|C<4>}	H(C[5]C[5]N[5]P[5])	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	108.4137	0.453	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]C[6]N[5])	108.0480	0.000	2	108.0480	0.000	2	108.0480	0.000	2	108.4137	0.453	7	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5]C[4]C[5]N[5])	106.9895	0.368	2	106.9895	0.136	2	106.9895	0.136	2	107.5110	0.884	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]C[6]N[5])	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	107.5110	0.884	3	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO)	H(C[5]C[3]C[5]N[5])	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H){4|C<4>}	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[3]C[5]N[5])	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,6|H<1>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[4]C[5]N[5])	109.1445	0.040	2	109.1445	0.002	2	109.1445	0.002	2	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[3]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO)	H(C[5]C[5,5]C[3]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,7|H<1>}	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[3]N[5])	105.7050	0.000	1	105.7050	0.000	1	105.7050	0.000	1	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(CC[6a]O)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(CC[6a]O){1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]N[5])	109.4630	0.113	2	109.4630	0.013	2	109.2667	0.122	3	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]N[5])	108.8740	0.000	1	108.8740	0.000	1	109.2667	0.122	3	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]N[5])	109.2575	0.127	2	109.2575	0.016	2	109.2575	0.016	2	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]N[5])	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	H(C[5]C[5]N[5]C)	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2N[5])	108.7000	0.000	1	108.7000	0.000	1	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,6|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2N[5])	109.7710	0.706	4	109.7710	0.499	4	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.5850	0.000	1	108.5850	0.000	1	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	108.9260	0.239	2	108.9260	0.057	2	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	110.1950	0.000	1	109.4200	1.201	2	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	108.6450	0.000	1	109.4200	1.201	2	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)2(CCS)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]2H)2(CCS){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2N[5])	108.4900	0.000	1	108.4900	0.000	1	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5]2N[5])	110.3950	0.000	1	110.3950	0.000	1	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)2(CCS)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5]2H)2(CCS){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2N[5])	109.1180	0.000	1	109.1180	0.000	1	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2N[5])	110.9180	0.000	1	110.2355	0.932	2	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){2|C<3>,3|C<4>}	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2N[5])	109.5530	0.000	1	110.2355	0.932	2	109.4357	0.651	15	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	107.0000	0.000	1	107.0000	0.000	1	107.6335	0.803	2	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H)	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O){2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	108.2670	0.000	1	108.2670	0.000	1	107.6335	0.803	2	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H){4|H<1>}	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]Si)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|C<4>}	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]C[6]N[5])	110.4310	0.000	1	110.4310	0.000	1	110.0280	0.325	2	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]C[6]N[5])	109.6250	0.000	1	109.6250	0.000	1	110.0280	0.325	2	109.2727	1.320	31	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	5:3:1:1:	3:4:4:	4:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH){1|F<1>,1|H<1>,1|N<3>,3|C<4>}	H(C[5]Si[5]N[5]H)	109.0610	0.010	2	109.0610	0.000	2	109.0610	0.000	2	109.0610	0.000	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	5:3:1:1:	4:3:2:	4:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2	N[5](C[5]Si[5]HH)(C[5]O[5]C)(NC)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2{1|C<4>}	N[5](C[5]Si[5]HH)(C[5]O[5]C)(NC){1|Cl<1>,2|C<4>}	H(C[5]Si[5]N[5]H)	107.9165	3.675	2	107.9165	13.504	2	107.9165	13.504	2	107.9165	13.504	2	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	5:3:1:1:	4:3:4:	4:	C[5,6]-5:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2Ru)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2Ru)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	110.8665	0.455	2	110.8665	0.207	2	110.8665	0.207	2	110.6068	0.083	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	5:3:1:1:	4:3:4:	4:	Ge[5,5]-5:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH)	H(C[5]Ge[5,5]N[5]H)	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>}	H(C[5]Ge[5,5]N[5]H)	110.4770	0.038	4	110.4770	0.001	4	110.4770	0.001	4	110.6068	0.083	6	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP2	C[5]	N[5]	H	6:3:3:1:	4:3:4:	4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	C[5]-4:C[5,6a]-3:Si-4:	C[5]-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	H(C[5]C[5x3,5x5,20x6]C[5]N[5])	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	H(C[5]C[5x3,5x5,20x6]C[5]N[5])	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	110.6610	1.447	10489	110.6812	1.720	13986
474	542	951	0:SP3_SP-NON_SP3	C[3x5,6]	N[5,5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){2|O<2>,5|H<1>}	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	115.5060	0.000	1	115.5060	0.000	1	115.5060	0.000	1	115.5060	0.000	1	115.5060	0.000	1	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[3x5,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO)	H(C[3x5,6]C[5,5,6]2N[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H){1|O<1>,1|O<2>,4|H<1>}	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,2|O<2>,5|H<1>}	H(C[3x5,6]C[5,5,6]2N[5,5])	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[3x5]	N[5,5]	H	3:3:3:1:	4:4:4:	4:	N[5,5]-3:N[5,5]-3:N[5,5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:	C[3x5](N[5,5]C[5]2)3(H)	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2	H(C[3x5]N[5,5]3)	C[3x5](N[5,5]C[5]2)3(H){12|H<1>}	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	H(C[3x5]N[5,5]3)	110.0843	3.457	3	110.0843	11.952	3	110.0843	11.952	3	110.0843	11.952	3	111.6249	4.396	9	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[3x5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[3x5]-4:C[5]-4:	C[3x5]-4:	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH)	H(C[3x5]C[5,5]2N[5,5])	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){1|O<1>,5|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[3x5]C[5,5]2N[5,5])	111.7810	0.000	1	111.7810	0.000	1	111.7810	0.000	1	111.7810	0.000	1	111.6249	4.396	9	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[3x5]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	H(C[3x5]C[5,5]N[5,5]2)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[3x5]C[5,5]N[5,5]2)	112.4535	0.045	2	112.4535	0.002	2	112.4535	0.002	2	112.4535	0.002	2	111.6249	4.396	9	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[3x5]	N[5,5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[3x5]C[5,5]N[5,5]2)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[3x5]C[5,5]N[5,5]2)	112.4285	0.090	2	112.4285	0.008	2	112.4285	0.008	2	112.4285	0.008	2	111.6249	4.396	9	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[3x5]	N[5,5]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	H(C[3x5]C[5,5]2N[5,5])	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	H(C[3x5]C[5,5]2N[5,5])	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	111.6249	4.396	9	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH){1|C<3>,5|C<4>,7|H<1>}	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	110.6030	0.825	3	110.6030	0.681	3	110.6030	0.681	3	110.6030	0.681	3	109.5026	8.376	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[5,6,6]	H	4:3:3:1:	4:4:2:	4:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5])	H(C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H){2|C<4>,7|H<1>}	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])	110.5597	0.093	3	110.5597	0.009	3	110.5597	0.009	3	110.5597	0.009	3	109.5026	8.376	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[5,6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH)	H(C[5,3x6]C[5,3x6]N[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH){5|H<1>,6|C<4>}	H(C[5,3x6]C[5,3x6]N[5,6,6]C[6,6])	103.0300	0.000	1	103.0300	0.000	1	103.0300	0.000	1	103.0300	0.000	1	109.5026	8.376	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[3x5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5,3x6]C[3x5,6,6]C[4x6]N[5,6])	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	H(C[5,3x6]C[3x5,6,6]C[4x6]N[5,6])	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.7860	0.185	4	108.7860	0.185	4	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,4x6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH)	H(C[5,3x6]C[5,4x6]C[6,6]N[5,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,7|H<1>}	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,3x6]C[5,4x6]C[6,6]N[5,6])	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.7860	0.185	4	108.7860	0.185	4	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,3x6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5,3x6]C[5,5,3x6]C[4x6]N[5,6])	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,3x6]C[4x6]N[5,6])	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	108.7860	0.185	4	108.7860	0.185	4	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.7860	0.185	4	108.7860	0.185	4	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	N[5,5,6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	112.3120	0.362	2	112.0010	0.173	4	112.0010	0.173	4	112.0010	0.173	4	112.0010	0.173	4	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	N[5,5,6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	111.6900	0.000	2	112.0010	0.173	4	112.0010	0.173	4	112.0010	0.173	4	112.0010	0.173	4	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,5]-3:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5,6,6]C[5,5,6,6]C[5,3x6]N[5,5])	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H){10|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,3x6]N[5,5])	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[3x5,6]	H	3:4:4:1:	4:4:2:	4:	N[3x5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:	C[5,5,6]-4:	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	N[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	N[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6]){3|C<3>,8|H<1>}	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,5,6]-3:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H)	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC)	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC){1|H<1>,1|S<2>,2|O<1>,3|C<4>}	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	111.4692	5.263	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC)	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|C<4>,4|H<1>}	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC){1|C<3>,2|C<4>,7|H<1>}	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	115.0680	0.000	1	115.0680	0.000	1	115.0680	0.000	1	115.0680	0.000	1	111.4692	5.263	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H)	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC)	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC){1|H<1>,1|S<2>,2|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5])	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.4692	5.263	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)	N[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(O[5]C[5,6])	H(C[5,5,6]C[5,6,6]N[5,5,6]C[5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	N[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]N[5,5,6]C[5])	109.9705	0.787	2	109.9705	0.619	2	109.9705	0.619	2	109.9705	0.619	2	111.4692	5.263	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6,6]-4:N[5,5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2	H(C[5,5,6]C[5,5,6,6]N[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H){4|C<3>,6|H<1>}	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2{3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]N[5,5,6]C[6])	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	111.4692	5.263	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:3:3:1:	4:4:2:	4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC)	H(C[5,5,6]C[5,6,6a]2N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC){4|C<3>}	H(C[5,5,6]C[5,6,6a]2N[5,5])	116.6170	0.153	4	116.6170	0.024	4	116.6170	0.024	4	116.6170	0.024	4	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:3:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P[5,5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2)	H(C[5,5,6]C[5,6,6a]2N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2){2|H<1>,8|C<3>}	H(C[5,5,6]C[5,6,6a]2N[5,5])	116.6530	0.130	2	116.6530	0.017	2	116.6530	0.017	2	116.6530	0.017	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	115.6530	0.000	1	115.6530	0.000	1	115.9210	0.144	2	115.0213	0.522	6	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.1890	0.000	1	116.1890	0.000	1	115.9210	0.144	2	115.0213	0.522	6	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	114.5715	0.114	4	114.5715	0.013	4	114.5715	0.013	4	115.0213	0.522	6	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H){2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	115.7520	0.000	1	115.7520	0.000	1	115.9830	0.107	2	115.9830	0.107	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.2140	0.000	1	116.2140	0.000	1	115.9830	0.107	2	115.9830	0.107	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:2:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	111.9391	0.268	10	111.9391	0.072	10	111.9391	0.072	10	111.9391	0.072	10	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO){1|H<1>,1|S<4>,2|C<3>,2|O<2>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.6620	0.000	1	115.6620	0.000	1	115.6620	0.000	1	114.5302	7.294	4	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H){2|C<3>,2|H<1>,2|O<2>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO){1|H<1>,1|S<4>,2|C<3>,2|O<2>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	114.5302	7.294	4	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){6|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	114.5302	7.294	4	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	114.5302	7.294	4	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.6523	0.163	4	115.6523	0.026	4	115.6523	0.026	4	113.5744	4.834	13	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	113.5744	4.834	13	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H){2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd){2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	112.8228	1.012	6	112.8228	1.025	6	112.8228	1.025	6	113.5744	4.834	13	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.1430	0.000	1	109.1430	0.000	1	110.2755	2.565	2	113.5744	4.834	13	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	111.4080	0.000	1	111.4080	0.000	1	110.2755	2.565	2	113.5744	4.834	13	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CC[6a]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.2560	0.000	1	114.2560	0.000	1	114.5967	0.053	15	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5500	0.000	1	114.5500	0.000	1	114.5967	0.053	15	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.4305	0.078	2	114.4305	0.006	2	114.5967	0.053	15	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5620	0.000	1	114.5620	0.000	1	114.5967	0.053	15	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.3913	0.080	3	114.4230	0.008	4	114.5967	0.053	15	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|O<2>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5180	0.000	1	114.4230	0.008	4	114.5967	0.053	15	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S){8|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.8383	0.112	6	114.8383	0.012	6	114.5967	0.053	15	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H){1|Si<4>,1|C<3>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS){1|C<3>,6|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.1540	0.000	2	114.1540	0.000	2	114.1540	0.000	2	114.5446	0.068	17	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.9060	0.000	1	109.9060	0.000	1	109.9685	0.008	2	109.9685	0.008	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.0310	0.000	1	110.0310	0.000	1	109.9685	0.008	2	109.9685	0.008	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:Ge[5,5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3){1|Ge<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	111.4690	0.000	1	111.4690	0.000	1	111.4690	0.000	1	111.4690	0.000	1	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|Br<1>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.9560	0.000	1	114.9560	0.000	1	114.9560	0.000	1	114.9560	0.000	1	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H)	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3)	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H){1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	112.3650	0.000	1	112.3650	0.000	1	112.8985	0.569	2	112.8985	0.569	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3)	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	113.4320	0.000	1	113.4320	0.000	1	112.8985	0.569	2	112.8985	0.569	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H){1|N<3>,4|H<1>,7|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){4|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.6750	0.088	2	112.6750	0.008	2	112.7825	0.101	4	112.3700	0.926	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){1|C<3>,4|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.8900	0.498	2	112.8900	0.248	2	112.7825	0.101	4	112.3700	0.926	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6]2N[5,5])	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	112.3700	0.926	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.7202	0.256	4	110.6962	0.052	5	110.6962	0.052	5	111.0154	1.597	11	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.6000	0.000	1	110.6962	0.052	5	110.6962	0.052	5	111.0154	1.597	11	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H)	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,5])	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H){10|H<1>,4|C<4>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,5]){1|S<2>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	109.0690	0.100	2	109.0690	0.010	2	109.0690	0.010	2	111.0154	1.597	11	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5])	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	112.3875	0.209	4	112.3875	0.044	4	112.3875	0.044	4	111.0154	1.597	11	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,4|C<4>,6|H<1>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2){1|O<1>,5|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	112.1964	3.344	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5])	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,4|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2N[5,5])	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	112.1964	3.344	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,7|H<1>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	112.1964	3.344	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H)	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H){1|C<3>,1|O<2>,3|H<1>}	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	112.1964	3.344	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	112.1964	3.344	5	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H)	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,8|H<1>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,5])	109.1825	0.169	2	109.1825	0.029	2	109.1825	0.029	2	109.1825	0.029	2	113.3061	4.639	87	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[3x6]-4:	C[5,5,6]-4:	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H)	H(C[5,5,6]C[5,5,6]2N[5,6,6])	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,4|C<4>,8|H<1>}	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,6,6])	111.3040	0.000	1	111.3040	0.000	1	111.3040	0.000	1	111.3040	0.000	1	111.3040	0.000	1	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2){2|N<3>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	114.5577	0.133	4	114.5577	0.018	4	114.5577	0.018	4	114.5577	0.018	4	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|F<1>,1|N<3>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){2|C<3>,3|H<1>,6|C<4>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	111.1380	0.000	2	111.1380	0.000	2	111.1380	0.000	2	111.1380	0.000	2	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:2:3:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(COO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H){2|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(COO){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H){1|O<1>,2|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[5,5,6]C[5,5,6]N[5,6]2)	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]N[5,6]2)	112.1703	0.039	3	112.1703	0.002	3	112.1703	0.002	3	112.1703	0.002	3	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:4:2:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H){1|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6,6a]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H)	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,6])	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.0350	0.229	2	115.0350	0.052	2	115.0350	0.052	2	115.0350	0.052	2	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,5,6]C[5,6,6]C[5,5]N[5,6])	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]N[5,6])	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:2:3:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CC[6a]O)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CC[6a]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.1670	0.000	1	115.1670	0.000	1	115.3025	0.037	2	115.3025	0.037	2	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:2:3:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(COO)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,2|H<1>,2|N<2>}	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(COO){1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.4380	0.000	1	115.4380	0.000	1	115.3025	0.037	2	115.3025	0.037	2	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]N)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H){1|N<2>,2|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H){5|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|N<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.9030	0.006	2	114.9030	0.000	2	114.9030	0.000	2	114.9030	0.000	2	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3)	H(C[5,5,6]C[5,5,6,6]C[5,3x6]N[5,6])	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H){2|O<2>,5|H<1>,6|C<4>}	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,3x6]N[5,6])	112.9580	0.000	1	112.9580	0.000	1	112.9580	0.000	1	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH)	H(C[5,5,6]C[5,5,6]2N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,6])	112.3882	0.082	4	112.3882	0.007	4	112.3190	0.009	8	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH)	H(C[5,5,6]C[5,5,6]2N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H){2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,6])	112.2498	0.035	4	112.2498	0.001	4	112.3190	0.009	8	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,6])	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<3>,9|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,6])	112.1755	0.719	2	112.1755	0.517	2	112.1755	0.517	2	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.3690	0.000	1	115.3690	0.000	1	113.8128	0.769	5	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,1|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|P<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	113.4113	0.156	3	113.4237	0.017	4	113.8128	0.769	5	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|P<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	113.4610	0.000	1	113.4237	0.017	4	113.8128	0.769	5	112.8195	0.717	17	113.3505	2.806	41	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2N[5])	112.4875	0.077	2	112.4875	0.006	2	112.4875	0.006	2	112.3067	0.101	3	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:S-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	112.3067	0.101	3	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	110.7865	4.685	2	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	112.3170	0.000	1	112.3170	0.000	1	112.3170	0.000	1	110.7865	4.685	2	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:N[5]-3:C-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN){2|H<1>,3|C<4>,4|C<3>}	H(C[5,5,6]C[5,5,6]2N[5])	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.0530	0.000	1	110.8997	0.024	6	110.8997	0.024	6	110.7740	0.130	7	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.8480	0.136	2	110.8997	0.024	6	110.8997	0.024	6	110.7740	0.130	7	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.7740	0.016	2	110.8997	0.024	6	110.8997	0.024	6	110.7740	0.130	7	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.1010	0.000	1	110.8997	0.024	6	110.8997	0.024	6	110.7740	0.130	7	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H){1|C<3>,1|N<2>,2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.7740	0.130	7	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:S-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]Cl2)(N[5]S[5]S)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]Cl2)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC){2|Cl<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.5410	0.000	1	109.5410	0.000	1	110.0075	0.220	4	110.0075	0.220	4	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:S-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.6560	0.000	1	110.6560	0.000	1	110.0075	0.220	4	110.0075	0.220	4	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:S-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.9165	0.076	2	109.9165	0.006	2	110.0075	0.220	4	110.0075	0.220	4	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.9380	0.374	15	109.9380	0.140	15	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.4570	0.000	1	110.4570	0.000	1	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.3870	0.000	1	110.3870	0.000	1	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,6]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,6]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.8790	0.139	4	109.8790	0.019	4	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.2975	0.535	2	110.2975	0.287	2	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.1073	0.421	3	110.1073	0.177	3	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	107.9320	0.000	1	107.3638	12.401	4	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	102.2230	0.000	1	107.3638	12.401	4	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.6500	0.000	2	107.3638	12.401	4	109.6601	2.237	30	109.6601	2.237	30	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[6]-4:S[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H){1|O<2>,2|O<1>,4|C<4>,6|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO){1|C<3>,5|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	105.6430	22.007	3	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H)	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>,6|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2N[5])	102.9355	0.173	2	102.9355	0.030	2	102.9355	0.030	2	105.6430	22.007	3	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5]	H	4:4:3:1:	6:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	Nb[3x3,5]-6:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H)	N[5](Nb[3x3,5]C[3,3]2C[3,5]N[3]N)(C[5,5,6]C[5,5,6]2H)(CC3)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	N[5](Nb[3x3,5]C[3,3]2C[3,5]N[3]N)(C[5,5,6]C[5,5,6]2H)(CC3){1|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2N[5])	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	109.8281	3.960	51	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:3:3:1:	4:4:3:	4:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-3:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2){1|Br<1>,1|O<1>,6|H<1>}	H(C[5,5]N[3x5]C[5]2)	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:3:3:1:	4:4:4:	4:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H)	N[3x5](C[5,5]C[5]2H)3	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H){2|Cl<1>,2|C<3>,2|H<1>}	N[3x5](C[5,5]C[5]2H)3{6|Cl<1>}	H(C[5,5]N[3x5]C[5]2)	110.8737	0.158	3	110.8737	0.025	3	110.8737	0.025	3	110.8737	0.025	3	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:3:1:	4:4:3:	4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-3:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,2|C<3>,3|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2){1|Br<1>,1|O<1>,6|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:3:1:	4:4:4:	4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,6|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.3630	0.297	3	110.2918	0.079	4	110.2918	0.079	4	110.2918	0.079	4	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:3:1:	4:4:4:	4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){3|Br<1>,7|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.0780	0.000	1	110.2918	0.079	4	110.2918	0.079	4	110.2918	0.079	4	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:4:1:	4:4:4:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){11|H<1>,1|Br<1>}	H(C[5,5]N[3x5]C[5]2)	110.5930	0.000	1	109.9648	0.249	5	109.9648	0.249	5	109.9648	0.249	5	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:4:1:	4:4:4:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,1|O<1>,8|H<1>}	H(C[5,5]N[3x5]C[5]2)	109.5620	0.000	1	109.9648	0.249	5	109.9648	0.249	5	109.9648	0.249	5	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:4:1:	4:4:4:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){11|H<1>,1|Br<1>}	H(C[5,5]N[3x5]C[5]2)	110.1290	0.000	1	109.9648	0.249	5	109.9648	0.249	5	109.9648	0.249	5	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:4:1:	4:4:4:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,1|O<1>,8|H<1>}	H(C[5,5]N[3x5]C[5]2)	109.3590	0.000	1	109.9648	0.249	5	109.9648	0.249	5	109.9648	0.249	5	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	3:4:4:1:	4:4:4:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|O<2>,2|C<3>,3|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){3|Br<1>,7|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.1810	0.000	1	109.9648	0.249	5	109.9648	0.249	5	109.9648	0.249	5	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[3x5]	H	4:3:2:1:	4:4:4:	4:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	N[3x5](C[5,5]C[5,6]O[5]H)3	H(C[5,5]C[5,6]N[3x5]O[5])	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	N[3x5](C[5,5]C[5,6]O[5]H)3{6|C<4>}	H(C[5,5]C[5,6]N[3x5]O[5])	110.7557	0.079	3	110.7557	0.006	3	110.7557	0.006	3	110.7557	0.006	3	110.5057	0.335	17	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-4:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2	N[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]OO)	H(C[5,5]C[5,5,6]N[5,5,6]H)	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2{2|O<1>,6|H<1>}	N[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]OO){5|H<1>}	H(C[5,5]C[5,5,6]N[5,5,6]H)	112.0990	0.034	2	112.0990	0.001	2	112.0990	0.001	2	112.0990	0.001	2	110.5280	2.383	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	N[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]N[5]N[6])(C[5,5]C[5]2H)	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]N[5]N[6])(C[5,5]C[5]2H){1|C<3>,1|C<4>,9|H<1>}	H(C[5,5]N[5,5,6]C[5]2)	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	110.5280	2.383	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6]){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5,6]C[5]2)	108.6595	0.204	2	108.6595	0.042	2	108.6595	0.042	2	108.6595	0.042	2	110.5280	2.383	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H)	N[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(S[5,6]O[5,6]OO)	H(C[5,5]C[5,5,6]N[5,5,6]C[6a])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H){2|C<3>,2|O<1>,6|H<1>}	N[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(S[5,6]O[5,6]OO){2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]N[5,5,6]C[6a])	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	110.1220	0.029	2	110.5280	2.383	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5,6]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H)	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H){4|H<1>,6|C<3>}	H(C[5,5]N[5,5,6]C[5]2)	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	110.1220	0.029	2	110.5280	2.383	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:2:4:1:	3:4:4:	4:	N[5,5]-3:S[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH)	H(C[5,5]N[5,5]C[5]S[5])	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]S[5])	108.6020	1.052	2	108.6020	1.107	2	108.6020	1.107	2	108.6020	1.107	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:3:1:	4:4:2:	4:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	H(C[5,5]N[5,5]N[5]2)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){1|N<3>,4|C<4>}	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]N[5,5]N[5]2)	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	3:4:4:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	110.0590	0.066	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	3:4:4:	4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.1955	0.144	2	110.1955	0.021	2	110.1955	0.021	2	110.0590	0.066	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H){1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){5|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.3290	0.000	1	110.3290	0.000	1	110.4100	0.013	2	110.4100	0.013	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.4910	0.000	1	110.4910	0.000	1	110.4100	0.013	2	110.4100	0.013	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	110.8580	0.457	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H)	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.8580	0.457	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	111.1090	0.000	1	111.1090	0.000	1	110.6650	0.091	4	110.3020	0.727	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.5545	0.015	2	110.5170	0.004	3	110.6650	0.091	4	110.3020	0.727	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.4420	0.000	1	110.5170	0.004	3	110.6650	0.091	4	110.3020	0.727	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	110.3020	0.727	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:Se[5]-2:H-1:	C[5,5]-4:P[5]-4:N[5]-2:	C[5,5]-4:	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H)	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5])	H(C[5,5]N[5,5]Se[5]C[5])	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H){1|Se<1>,1|H<1>,3|C<3>}	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	H(C[5,5]N[5,5]Se[5]C[5])	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	111.2350	0.000	1	111.2350	0.000	1	110.8700	0.134	3	110.4911	0.406	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H){1|Fe<10>,2|C<3>,3|C<4>,8|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	110.6875	0.261	2	110.6875	0.068	2	110.8700	0.134	3	110.4911	0.406	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	110.9330	0.000	1	110.9330	0.000	1	110.1127	0.654	3	110.4911	0.406	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH){3|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	109.7025	0.547	2	109.7025	0.299	2	110.1127	0.654	3	110.4911	0.406	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:2:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	110.4911	0.406	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	110.1430	0.000	1	110.1430	0.000	1	110.1497	0.008	3	110.1497	0.008	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.0660	0.000	1	110.1530	0.015	2	110.1497	0.008	3	110.1497	0.008	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	110.2400	0.000	1	110.1530	0.015	2	110.1497	0.008	3	110.1497	0.008	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5,6]-3:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){2|C<3>,2|O<1>,3|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5,5](C[5,6]C[6]2N[5])(C[5,5]C[5]2H)(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,4|C<4>}	N[5,5](C[5,6]C[6]2N[5])(C[5,5]C[5]2H)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H){1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.9435	0.460	2	110.9435	0.212	2	110.9020	0.111	3	110.9020	0.111	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.8190	0.000	1	110.8190	0.000	1	110.9020	0.111	3	110.9020	0.111	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H){2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4950	0.544	2	109.4950	0.296	2	109.8080	0.202	5	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8675	0.231	2	109.8675	0.053	2	109.8080	0.202	5	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.3150	0.000	1	110.3150	0.000	1	109.8080	0.202	5	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.4340	0.000	1	111.4340	0.000	1	116.1863	17.898	3	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	118.5625	1.385	2	118.5625	1.919	2	116.1863	17.898	3	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]2H)(P[5]O[5]RhN)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|Rh<5>,1|N<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]RhN)(C[5]C[5]HH){1|O<1>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4505	0.381	2	110.4505	0.145	2	110.4505	0.145	2	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,6|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	109.3740	0.000	1	109.3740	0.000	1	110.0452	0.255	4	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.0230	0.000	1	110.0230	0.000	1	110.0452	0.255	4	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.5850	0.000	1	110.5850	0.000	1	110.0452	0.255	4	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.1990	0.000	1	110.1990	0.000	1	110.0452	0.255	4	111.1739	8.277	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9455	0.030	2	109.9455	0.001	2	109.9455	0.001	2	109.9455	0.001	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:P[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9095	0.598	2	109.9095	0.357	2	109.9095	0.357	2	109.7037	0.306	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	109.7037	0.306	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,8|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:3:4:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-3:Si[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.0420	0.398	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|C<4>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	110.0420	0.398	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.6160	1.048	2	108.6160	1.098	2	108.9975	0.736	4	109.2746	0.936	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8650	0.000	1	108.8650	0.000	1	108.9975	0.736	4	109.2746	0.936	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|S<4>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|S<4>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8930	0.000	1	109.8930	0.000	1	108.9975	0.736	4	109.2746	0.936	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){3|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(O[5]C[5]){4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	109.2746	0.936	5	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,7|H<1>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2){1|O<1>,5|C<4>,7|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.3860	0.000	1	109.3860	0.000	1	108.9845	0.322	2	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5830	0.000	1	108.5830	0.000	1	108.9845	0.322	2	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9010	0.000	1	110.2637	0.099	3	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|Cl<1>,1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){2|Cl<1>,1|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4450	0.000	2	110.2637	0.099	3	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|I<1>,1|N<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4620	0.187	2	109.4620	0.035	2	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|O<1>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9340	0.000	1	109.9340	0.000	1	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4500	0.000	1	110.5235	0.011	2	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|O<2>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5970	0.000	1	110.5235	0.011	2	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8590	0.000	1	109.8590	0.000	1	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7560	0.000	1	109.7560	0.000	1	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]C)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]C){6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4220	0.000	1	110.4220	0.000	1	110.0666	0.179	11	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8640	0.000	1	109.8640	0.000	1	110.4625	0.716	2	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.0610	0.000	1	111.0610	0.000	1	110.4625	0.716	2	110.0729	0.488	17	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<4>,1|S<2>,1|S<4>,7|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,7|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.3070	0.000	1	111.3070	0.000	1	108.7975	2.889	4	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.6950	0.000	1	107.7515	0.006	2	108.7975	2.889	4	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.8080	0.000	1	107.7515	0.006	2	108.7975	2.889	4	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.3800	0.000	1	108.3800	0.000	1	108.7975	2.889	4	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.5220	0.000	1	111.5220	0.000	1	111.7523	0.277	6	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.7984	0.575	5	111.7984	0.331	5	111.7523	0.277	6	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1660	0.000	1	110.2710	0.023	3	110.2735	0.015	4	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3235	0.169	2	110.2710	0.023	3	110.2735	0.015	4	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.2810	0.000	1	110.2810	0.000	1	110.2735	0.015	4	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.7930	0.077	3	108.8620	0.019	6	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.9310	0.168	3	108.8620	0.019	6	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.6180	0.000	1	110.6180	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.6500	0.013	2	108.6500	0.000	2	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.3170	0.000	1	108.3170	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3380	0.000	1	109.3380	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5120	0.000	1	109.5120	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5790	0.000	1	108.5790	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5740	0.000	1	109.4215	1.437	2	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.2690	0.000	1	109.4215	1.437	2	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2910	0.000	1	109.2910	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|N<3>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.0482	0.401	4	109.0482	0.161	4	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4145	0.202	2	109.4145	0.041	2	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|O<1>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5690	0.000	1	109.5690	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,4|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0980	0.000	1	110.0980	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6260	0.000	1	109.6260	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9790	0.000	1	109.9790	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6335	0.069	2	109.6335	0.005	2	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1470	0.000	1	110.1470	0.000	1	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8990	0.543	2	109.4095	0.501	12	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1990	0.000	1	109.4095	0.501	12	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6344	0.749	8	109.4095	0.501	12	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8420	0.000	1	109.4095	0.501	12	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7760	0.874	2	109.7760	0.764	2	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.8620	0.000	1	109.6717	0.500	3	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.0765	0.129	2	109.6717	0.500	3	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.7720	0.000	1	109.3213	0.157	3	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.0960	0.096	2	109.3213	0.157	3	109.3494	0.382	49	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3860	0.563	2	109.3860	0.317	2	109.3227	0.170	3	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1960	0.000	1	109.1960	0.000	1	109.3227	0.170	3	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9080	0.000	1	109.9080	0.000	1	110.0133	0.379	6	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.2390	0.590	4	110.0344	0.470	5	110.0133	0.379	6	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2160	0.000	1	110.0344	0.470	5	110.0133	0.379	6	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8590	0.000	1	108.8590	0.000	1	109.2060	0.349	9	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,6|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|O<2>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0150	0.000	1	110.0150	0.000	1	109.2060	0.349	9	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){2|C<4>,6|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{8|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6060	0.000	1	109.6060	0.000	1	109.2060	0.349	9	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){3|O<2>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9592	0.609	4	108.9216	0.285	5	109.2060	0.349	9	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,4|O<2>}	H(C[5,5]N[5,5]C[5]2)	108.7710	0.000	1	108.9216	0.285	5	109.2060	0.349	9	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{4|H<1>,4|O<2>}	H(C[5,5]N[5,5]C[5]2)	109.7660	0.000	1	109.7660	0.000	1	109.2060	0.349	9	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:P[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]CO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]CO){1|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1970	0.000	1	109.1970	0.000	1	110.7035	4.539	2	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:P[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]NN)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]NN){1|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	112.2100	0.000	1	112.2100	0.000	1	110.7035	4.539	2	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9235	0.194	2	109.9235	0.038	2	110.2073	0.261	3	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|O<1>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7750	0.000	1	110.7750	0.000	1	110.2073	0.261	3	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1350	0.000	1	109.1350	0.000	1	109.3935	0.134	2	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6520	0.000	1	109.6520	0.000	1	109.3935	0.134	2	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|C<4>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	107.8480	0.000	1	107.8480	0.000	1	109.0185	2.740	2	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1890	0.000	1	110.1890	0.000	1	109.0185	2.740	2	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	P[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](P[5]C[6a]N[5]B)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|B<4>,2|C<3>,4|H<1>}	N[5,5](P[5]C[6a]N[5]B)(C[5,5]C[5]2H)(C[5]C[5]HH){3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	115.8270	0.000	1	115.8270	0.000	1	111.8987	11.655	3	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	P[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](P[5]C[6a]N[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	N[5,5](P[5]C[6a]N[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH){3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9345	0.402	2	109.9345	0.162	2	111.8987	11.655	3	109.7003	1.347	94	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O){1|C<4>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	111.9880	0.011	2	111.9880	0.000	2	112.1920	0.027	7	112.1920	0.027	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.3535	0.054	2	112.2736	0.012	5	112.1920	0.027	7	112.1920	0.027	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.2203	0.107	3	112.2736	0.012	5	112.1920	0.027	7	112.1920	0.027	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:1:1:	4:4:4:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{2|Br<1>,3|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH){2|Br<1>,3|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	109.3850	1.089	2	109.3850	1.186	2	109.3850	1.186	2	109.3850	1.186	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.6110	0.091	2	108.6110	0.008	2	108.7618	0.024	5	109.1074	0.298	8	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.7950	0.000	1	108.7950	0.000	1	108.7618	0.024	5	109.1074	0.298	8	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.8960	0.064	2	108.8960	0.004	2	108.7618	0.024	5	109.1074	0.298	8	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	H(C[5,5]C[5,6]N[5,5]S[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6]N[5,5]S[5])	109.6833	0.447	3	109.6833	0.199	3	109.6833	0.199	3	109.1074	0.298	8	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:2:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	H(C[5,5]C[5,5]N[5,5]S[5])	109.2940	0.000	1	109.2940	0.000	1	108.9880	0.187	2	108.9880	0.187	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:2:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.6820	0.000	1	108.6820	0.000	1	108.9880	0.187	2	108.9880	0.187	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]S[5])	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]S[5])	109.5010	0.126	2	109.5010	0.016	2	109.5010	0.016	2	109.5010	0.016	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]N[5])	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	3:4:4:	4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	H(C[5,5]N[5,5]N[5]P[5])	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]N[5,5]N[5]P[5])	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:3:4:	4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	H(C[5,5]C[3x5]N[5,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,6|C<3>}	H(C[5,5]C[3x5]N[5,5]N[5])	110.6290	0.054	2	110.5830	0.008	3	110.5830	0.008	3	110.5830	0.008	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:3:4:	4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	H(C[5,5]C[3x5]N[5,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,2|F<1>,2|H<1>,6|C<3>}	H(C[5,5]C[3x5]N[5,5]N[5])	110.4910	0.000	1	110.5830	0.008	3	110.5830	0.008	3	110.5830	0.008	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:4:2:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2N[5])(O[5]C[5,5])	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H){1|O<2>,3|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2N[5])(O[5]C[5,5]){1|O<1>,5|H<1>,6|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.8020	0.103	2	108.8020	0.011	2	108.7173	0.134	4	109.6753	3.904	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H){2|O<1>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6325	0.603	2	108.6325	0.364	2	108.7173	0.134	4	109.6753	3.904	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]N[5])	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	109.6753	3.904	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,6,6]N[5,5]2)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6,6]N[5,5]2)	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	109.6753	3.904	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	109.6753	3.904	7	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.7445	0.385	2	110.7445	0.149	2	110.7445	0.149	2	110.7445	0.149	2	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:3:4:	4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	H(C[5,5]C[3x5,6]N[5,5]C[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]N[5,5]C[5])	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:2:	4:	C[4,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5])	H(C[5,5]C[4,5]N[5,5]C[5])	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,5|H<1>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5]){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[4,5]N[5,5]C[5])	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.4960	0.059	2	110.4960	0.004	2	110.4960	0.004	2	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O){2|O<2>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.5410	0.000	1	110.5410	0.000	1	110.9327	1.007	3	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]O[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]O[5]O){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.1285	1.336	2	111.1285	1.784	2	110.9327	1.007	3	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H){2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9235	1.006	2	109.9235	1.012	2	110.4098	0.590	5	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3730	0.000	1	110.3730	0.000	1	110.4098	0.590	5	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H){1|O<1>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4880	0.000	1	110.4880	0.000	1	110.4098	0.590	5	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H){3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	111.3410	0.000	1	111.3410	0.000	1	110.4098	0.590	5	110.5299	0.523	11	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.0550	0.000	1	109.0550	0.000	1	109.1731	0.036	8	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.4010	0.035	2	109.4010	0.001	2	109.1731	0.036	8	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	108.9300	0.000	1	108.9300	0.000	1	109.1731	0.036	8	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.0600	0.000	1	109.0600	0.000	1	109.1731	0.036	8	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.0140	0.000	1	109.1793	0.030	3	109.1731	0.036	8	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.2620	0.136	2	109.1793	0.030	3	109.1731	0.036	8	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,5|C<3>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.7240	0.123	3	108.7240	0.015	3	108.6937	0.014	4	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6030	0.000	1	108.6030	0.000	1	108.6937	0.014	4	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6627	0.109	3	108.6627	0.012	3	109.4135	0.642	11	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.7670	0.000	1	108.7670	0.000	1	109.4135	0.642	11	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.9685	0.322	2	109.9917	0.053	3	109.4135	0.642	11	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.0380	0.000	1	109.9917	0.053	3	109.4135	0.642	11	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.2227	0.164	3	109.2227	0.027	3	109.4135	0.642	11	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH){4|H<1>,4|O<2>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.1500	0.000	1	111.1500	0.000	1	109.4135	0.642	11	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.8810	0.988	3	110.8810	0.975	3	110.8810	0.975	3	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.1690	0.000	1	110.1690	0.000	1	109.5806	0.830	7	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.0030	0.594	2	110.0030	0.353	2	109.5806	0.830	7	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	107.6680	0.000	1	107.6680	0.000	1	109.5806	0.830	7	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	109.4010	0.000	1	109.4010	0.000	1	109.5806	0.830	7	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	109.8240	0.000	1	109.9100	0.015	2	109.5806	0.830	7	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	109.9960	0.000	1	109.9100	0.015	2	109.5806	0.830	7	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2{2|S<2>,3|H<1>,3|O<2>}	H(C[5,5]C[5,6]N[5,5]C[5])	108.2940	0.136	2	108.2940	0.018	2	109.3230	1.419	4	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH){4|C<3>,4|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.3520	0.047	2	110.3520	0.002	2	109.3230	1.419	4	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7990	0.000	1	109.1860	0.200	4	109.3103	0.158	6	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9817	0.223	3	109.1860	0.200	4	109.3103	0.158	6	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6050	0.000	1	109.6050	0.000	1	109.3103	0.158	6	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.5130	0.000	1	109.5130	0.000	1	109.3103	0.158	6	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.0410	0.000	1	109.0410	0.000	1	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5723	0.393	3	109.8672	0.526	6	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7100	0.000	2	109.8672	0.526	6	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.0660	0.000	1	109.8672	0.526	6	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.5276	0.121	5	109.5276	0.015	5	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.8830	0.898	2	109.5593	0.558	4	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.7620	0.000	1	109.5593	0.558	4	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.7090	0.000	1	109.5593	0.558	4	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3990	0.000	1	110.0630	0.226	2	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7270	0.000	1	110.0630	0.226	2	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9600	0.000	1	109.9600	0.000	1	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7167	0.424	3	110.7167	0.180	3	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.4217	0.448	3	110.4441	0.255	11	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.4525	0.554	8	110.4441	0.255	11	110.0376	0.440	33	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH){3|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(P[5]O[5]CuN)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Cu<3>,1|N<3>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]CuN)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1500	0.898	2	109.1500	0.806	2	109.5461	0.161	18	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(P[5]O[5]NiO)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Ni<4>,1|O<2>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]NiO)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3510	0.000	1	109.3510	0.000	1	109.5461	0.161	18	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdC)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdC)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5045	0.496	6	109.5045	0.246	6	109.5461	0.161	18	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdO)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|O<2>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdO)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6836	0.143	9	109.6836	0.021	9	109.5461	0.161	18	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.4680	0.881	3	107.4515	4.650	4	107.8626	4.333	5	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|S<4>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	104.4020	0.000	1	107.4515	4.650	4	107.8626	4.333	5	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.5070	0.000	1	109.5070	0.000	1	107.8626	4.333	5	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.8510	0.000	1	109.4240	0.365	2	109.6413	0.324	3	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9970	0.000	1	109.4240	0.365	2	109.6413	0.324	3	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0760	0.000	1	110.0760	0.000	1	109.6413	0.324	3	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	P[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	N[5,5](P[5]C[6a]O[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,4|H<1>,5|C<3>}	N[5,5](P[5]C[6a]O[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.0683	0.385	4	109.0683	0.149	4	109.0683	0.149	4	109.5669	0.822	110	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6])	H(C[5,5]C[4,5]N[5,5]C[5])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[4,5]N[5,5]C[5])	110.3855	0.397	2	110.3855	0.157	2	110.3855	0.157	2	110.1150	0.298	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5]	H	4:4:3:1:	4:4:2:	4:	C[5,5]-4:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H)	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5])	H(C[5,5]C[5,5]2N[5,5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]2N[5,5])	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	110.1150	0.298	3	109.8700	1.547	335	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	110.2390	0.041	2	110.2390	0.002	2	110.5768	0.536	4	110.7260	0.398	6	110.7700	0.345	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	110.1560	0.000	1	110.1560	0.000	1	110.5768	0.536	4	110.7260	0.398	6	110.7700	0.345	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	111.6730	0.000	1	111.6730	0.000	1	110.5768	0.536	4	110.7260	0.398	6	110.7700	0.345	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	H(C[5,5]C[5,6a]C[5,5]N[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5,6])	111.2620	0.000	1	111.2620	0.000	1	111.0245	0.113	2	110.7260	0.398	6	110.7700	0.345	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	H(C[5,5]C[5,6a]C[5,5]N[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5,6])	110.7870	0.000	1	110.7870	0.000	1	111.0245	0.113	2	110.7260	0.398	6	110.7700	0.345	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5,5]-4:C[5]-3:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:	C[5,5]-4:	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H)	H(C[5,5]C[5,5]N[5,6]C[5])	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5,6]C[5])	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	110.7700	0.345	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5,5]-3:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H){1|N<2>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:3:3:1:	4:4:1:	4:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H)	H(C[5,5]N[5,5]N[5]2)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){1|N<3>,4|C<4>}	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]N[5]2)	110.1748	0.675	4	110.2310	0.281	6	110.2310	0.281	6	110.2310	0.281	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:3:3:1:	4:4:1:	4:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H)	H(C[5,5]N[5,5]N[5]2)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){5|C<4>}	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]N[5]2)	110.3435	0.022	2	110.2310	0.281	6	110.2310	0.281	6	110.2310	0.281	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H){4|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.5270	0.115	2	111.5270	0.013	2	111.5270	0.013	2	111.4977	0.009	3	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,6a]N[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,6a]N[5,5]N[5])	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4977	0.009	3	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CC)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CC)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.3265	0.210	2	111.3265	0.044	2	111.3457	0.017	4	110.1187	2.185	10	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.3650	0.071	2	111.3650	0.005	2	111.3457	0.017	4	110.1187	2.185	10	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)	H(C[5,5]C[5,6a]N[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H){1|B<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]N[5])	109.7300	0.000	1	109.7300	0.000	1	109.6167	0.457	3	110.1187	2.185	10	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,6a]N[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]N[5])	109.5600	0.946	2	109.5600	0.895	2	109.6167	0.457	3	110.1187	2.185	10	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.1440	0.047	2	110.1440	0.002	2	108.9847	4.033	3	110.1187	2.185	10	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	106.6660	0.000	1	106.6660	0.000	1	108.9847	4.033	3	110.1187	2.185	10	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SCOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,6|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SCOO){2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1487	1.114	3	111.1487	1.241	3	111.1487	1.241	3	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5,5]C[5,5a]C[5,5]N[5])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5])	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.1450	0.967	2	111.1450	0.936	2	111.1450	0.936	2	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.5220	0.000	1	110.5220	0.000	1	111.4093	0.638	3	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6340	0.000	1	111.6340	0.000	1	111.4093	0.638	3	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.0720	0.000	1	112.0720	0.000	1	111.4093	0.638	3	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	112.4070	0.000	1	112.4070	0.000	1	110.4786	1.336	5	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	109.3720	0.000	1	109.3720	0.000	1	110.4786	1.336	5	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,6|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.5230	0.000	1	110.2047	0.088	3	110.4786	1.336	5	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	109.9380	0.000	1	110.2047	0.088	3	110.4786	1.336	5	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]N[5])	110.1530	0.000	1	110.2047	0.088	3	110.4786	1.336	5	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[6]-4:C[5]-4:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	110.7290	1.300	15	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:2:3:1:	4:4:4:	4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.8453	0.472	3	110.8453	0.222	3	110.9444	0.130	5	110.9444	0.130	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:2:3:1:	4:4:4:	4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.0930	0.030	2	111.0930	0.001	2	110.9444	0.130	5	110.9444	0.130	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|Br<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.7480	0.000	1	110.7480	0.000	1	111.3300	2.626	3	111.1970	1.347	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	110.0810	0.000	1	110.0810	0.000	1	111.3300	2.626	3	111.1970	1.347	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	113.1610	0.000	1	113.1610	0.000	1	111.3300	2.626	3	111.1970	1.347	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.9490	0.000	1	110.9975	0.005	2	110.9975	0.005	2	111.1970	1.347	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	111.0460	0.000	1	110.9975	0.005	2	110.9975	0.005	2	111.1970	1.347	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H)	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[5,5,6]N[5]O[5])	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]N[5]O[5])	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5,5]C[5,5]N[5]O[5])	114.1865	1.428	2	114.1865	2.038	2	114.1865	2.038	2	114.1865	2.038	2	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	H(C[5,5]C[3x5]N[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[3x5]N[5]2)	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	111.4168	0.124	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.4120	0.000	1	111.4120	0.000	1	111.4096	0.154	5	111.4168	0.124	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8440	0.000	1	111.8440	0.000	1	111.4096	0.154	5	111.4168	0.124	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.0860	0.000	1	111.4185	0.221	2	111.4096	0.154	5	111.4168	0.124	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.7510	0.000	1	111.4185	0.221	2	111.4096	0.154	5	111.4168	0.124	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|Br<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.9550	0.000	1	110.9550	0.000	1	111.4096	0.154	5	111.4168	0.124	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.6035	1.661	2	109.6035	2.759	2	109.6035	2.759	2	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.2180	0.000	1	111.2180	0.000	1	111.2180	0.000	1	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.0430	0.000	1	112.0430	0.000	1	111.7547	0.091	3	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.6105	0.238	2	111.6105	0.057	2	111.7547	0.091	3	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.3080	0.190	3	110.3080	0.036	3	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.3775	0.183	2	111.3775	0.034	2	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|S<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.8120	0.000	1	110.8120	0.000	1	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.2070	0.000	1	110.6475	0.388	2	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.0880	0.000	1	110.6475	0.388	2	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.5505	1.280	4	111.5505	1.639	4	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.1370	0.000	1	111.1370	0.000	1	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.9380	0.000	1	111.9380	0.000	1	111.0759	0.727	14	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|Br<1>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	112.4800	0.000	1	112.4800	0.000	1	112.0535	0.364	2	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6270	0.000	1	111.6270	0.000	1	112.0535	0.364	2	111.1300	0.968	22	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[3x5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]O[5]O)(N[5]O[5]C)(H)	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]O[5]O)(N[5]O[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[3x5,6]C[5]N[5])	113.2990	0.000	1	113.2990	0.000	1	113.2990	0.000	1	113.4305	0.035	2	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H){1|C<3>,1|O<1>}	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5]C[5]N[5])	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	113.4305	0.035	2	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[3x5]-4:N[3,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[3x5]N[3,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[3x5]N[3,5]N[5])	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	111.1450	0.855	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[3x5]N[5,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[3x5]N[5,5]N[5])	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	111.1450	0.855	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5,6]N[5]2)	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	111.1450	0.855	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.3610	0.000	1	111.3610	0.000	1	111.2820	0.012	2	111.1450	0.855	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.2030	0.000	1	111.2030	0.000	1	111.2820	0.012	2	111.1450	0.855	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H){1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|N<3>}	H(C[5,5]C[5,5]N[5]2)	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	111.1450	0.855	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[3x5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,5]C[5,6a]C[3x5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]N[5])	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]N[5])	112.4700	0.000	1	111.8327	0.305	3	111.8327	0.305	3	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]N[5])	111.5140	0.041	2	111.8327	0.305	3	111.8327	0.305	3	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.9610	0.018	2	111.9610	0.000	2	111.6867	0.177	67	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.7083	0.247	3	111.7083	0.061	3	111.6867	0.177	67	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.1460	0.000	1	111.6768	0.187	62	111.6867	0.177	67	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6855	0.430	61	111.6768	0.187	62	111.6867	0.177	67	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5,6]-3:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:3:4:	4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]N[5,5]N[5]P[5])	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]N[5]P[5])	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	111.6573	0.219	74	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.2063	0.344	7	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]C)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H){2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]C)(H){2|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5]2)	109.7380	0.040	4	109.7380	0.002	4	110.1138	0.341	6	110.2063	0.344	7	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.8655	0.076	2	110.8655	0.006	2	110.1138	0.341	6	110.2063	0.344	7	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:2:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H)	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(OH)	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]N[5,5]N[5])	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.9995	0.162	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.7240	0.000	1	111.7240	0.000	1	112.1236	0.087	5	111.9995	0.162	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,3|N<3>}	H(C[5,5]C[5,5]N[5]2)	112.5560	0.000	1	112.2235	0.050	4	112.1236	0.087	5	111.9995	0.162	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){2|N<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<4>,1|H<1>,3|N<3>}	H(C[5,5]C[5,5]N[5]2)	112.1127	0.035	3	112.2235	0.050	4	112.1236	0.087	5	111.9995	0.162	6	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(C[5,5]C[3x5]N[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5,5]C[3x5]N[5]2)	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.2550	0.151	2	111.2550	0.023	2	111.2550	0.023	2	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]N[5])	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(SCOO)	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(SCOO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]N[5,5]N[5])	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.3526	0.170	5	110.3526	0.029	5	111.2759	3.882	19	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){3|C<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	110.3530	0.000	1	110.3530	0.000	1	111.2759	3.882	19	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	109.6290	0.000	1	109.6290	0.000	1	111.2759	3.882	19	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|U<12>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8847	2.530	10	111.8847	6.402	10	111.2759	3.882	19	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]YbO)(CN[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|Yb<9>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]YbO)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8250	0.048	2	111.8250	0.002	2	111.2759	3.882	19	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]HH)(SCOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]HH)(SCOO){2|C<4>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.6710	0.000	1	111.6710	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.3945	0.163	4	111.3945	0.026	4	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.7305	0.090	2	111.7305	0.008	2	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|S<2>,5|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.7280	0.000	1	110.7280	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.4550	0.000	1	112.4550	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.1000	0.000	1	111.1000	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SCOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SCOO){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	109.1560	0.000	1	109.1560	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.5770	0.000	1	110.2245	5.903	6	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	109.9540	2.613	5	110.2245	5.903	6	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.2295	0.303	2	110.3617	2.305	3	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	108.6260	0.000	1	110.3617	2.305	3	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.2070	0.000	1	111.2070	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.2955	0.221	2	112.2955	0.049	2	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.4770	0.000	1	110.4770	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.3370	0.000	1	111.3370	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	110.9420	0.000	1	110.9420	0.000	1	110.9667	2.024	26	111.0665	2.479	51	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.7700	0.000	1	110.7700	0.000	1	110.4150	0.297	3	110.5095	0.233	4	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H){1|H<1>,1|S<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.7880	0.000	1	109.7880	0.000	1	110.4150	0.297	3	110.5095	0.233	4	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.6870	0.000	1	110.6870	0.000	1	110.4150	0.297	3	110.5095	0.233	4	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|N<4>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.5095	0.233	4	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	3:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.4120	0.000	1	110.5395	0.033	2	110.5395	0.033	2	110.5395	0.033	2	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	3:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6670	0.000	1	110.5395	0.033	2	110.5395	0.033	2	110.5395	0.033	2	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO){1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	112.0675	0.008	2	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	112.0675	0.008	2	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	110.5210	1.266	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3){1|C<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	110.5210	1.266	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,2|O<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1920	0.000	1	111.1920	0.000	1	111.2735	0.013	2	110.5210	1.266	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3550	0.000	1	111.3550	0.000	1	111.2735	0.013	2	110.5210	1.266	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	110.5210	1.266	5	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H){2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.9230	0.000	1	111.9230	0.000	1	111.6620	0.136	2	111.2680	0.255	4	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.4010	0.000	1	111.4010	0.000	1	111.6620	0.136	2	111.2680	0.255	4	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(SC[6a]OO)(O[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(SC[6a]OO)(O[5]C[5]){3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8740	0.081	2	110.8740	0.006	2	110.8740	0.006	2	111.2680	0.255	4	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,7|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[3x5,6]C[5]N[5])	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]C[3,5]C[3x5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5]C[3x5]N[5])	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	110.9500	0.000	1	110.9255	0.001	2	110.9255	0.001	2	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	110.9010	0.000	1	110.9255	0.001	2	110.9255	0.001	2	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H){1|S<4>,6|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3820	0.000	1	111.3820	0.000	1	111.3420	0.003	2	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH){1|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3020	0.000	1	111.3020	0.000	1	111.3420	0.003	2	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1370	0.000	1	111.6145	0.456	2	111.1775	0.430	4	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.0920	0.000	1	111.6145	0.456	2	111.1775	0.430	4	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.9290	0.000	1	110.9290	0.000	1	111.1775	0.430	4	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){3|C<3>,7|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5520	0.000	1	110.5520	0.000	1	111.1775	0.430	4	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	108.8060	0.000	1	108.8060	0.000	1	108.8060	0.000	1	110.6612	1.171	12	111.1527	1.481	259	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6,6]-4:N[5,5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:S[5,5]-4:C[5,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H)	N[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)	H(C[5,6,6]C[5,6,6]N[5,5,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]N[5,5,6]C[6])	107.2455	0.412	2	107.2455	0.170	2	107.2455	0.170	2	107.2455	0.170	2	108.8250	4.497	5	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6]){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	107.5760	0.000	1	108.8620	3.308	2	108.8620	3.308	2	108.8620	3.308	2	108.8250	4.497	5	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6]){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	110.1480	0.000	1	108.8620	3.308	2	108.8620	3.308	2	108.8620	3.308	2	108.8250	4.497	5	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H)	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH)	H(C[5,6,6]C[5,6,6]N[5,5,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]N[5,5,6]C[5,6])	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	108.8250	4.497	5	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	H(C[5,6,6]N[5,6,6]C[5,6]C[6])	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6])	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	110.1275	0.583	19	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	110.1275	0.583	19	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH){1|I<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	110.2541	0.425	16	110.2541	0.180	16	110.2541	0.180	16	110.2541	0.180	16	110.1275	0.583	19	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	110.1275	0.583	19	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[5a,6]N[5,6])	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5a,6]N[5,6])	106.2740	0.000	1	106.2740	0.000	1	106.2740	0.000	1	106.2740	0.000	1	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:2:1:	4:4:3:	4:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H)	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO)	H(C[5,6,6]C[5,5,6,6]N[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO){2|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6,6]N[5,6]O[6])	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	H(C[5,6,6]C[5,6]N[5,6]N[6,6])	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]N[5,6]N[6,6])	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.1223	0.053	3	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6,6]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]N[5,6]2)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){5|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]2)	108.9895	0.009	2	108.9895	0.000	2	108.9895	0.000	2	109.1223	0.053	3	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	110.4185	0.064	2	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.4185	0.064	2	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:S[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]H)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.5920	0.000	1	109.4375	0.048	2	109.5678	0.142	5	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.2830	0.000	1	109.4375	0.048	2	109.5678	0.142	5	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.6547	0.482	3	109.6547	0.232	3	109.5678	0.142	5	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|I<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8620	0.359	2	108.2071	0.339	15	108.2146	0.317	16	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.9245	0.067	2	108.2071	0.339	15	108.2146	0.317	16	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.2588	0.443	5	108.2071	0.339	15	108.2146	0.317	16	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.2420	0.000	1	108.2071	0.339	15	108.2146	0.317	16	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8860	0.354	4	108.2071	0.339	15	108.2146	0.317	16	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,4|C<3>,9|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.4530	0.000	1	108.2071	0.339	15	108.2146	0.317	16	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.3270	0.000	1	108.3270	0.000	1	108.2146	0.317	16	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	111.1610	0.000	1	111.1610	0.000	1	109.2740	2.767	3	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.3305	0.439	2	108.3305	0.193	2	109.2740	2.767	3	108.5938	0.911	26	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:2:2:	4:	C[3x6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H)	N[5,6](C[5,6,6]C[3x6]C[5,6]H)(O[5]C[5])(O[6]C[6])	H(C[5,6,6]C[3x6]C[5,6]N[5,6])	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H){1|C<3>,4|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[3x6]C[5,6]H)(O[5]C[5])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[3x6]C[5,6]N[5,6])	108.3350	0.177	2	108.3350	0.031	2	108.3350	0.031	2	108.3350	0.031	2	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.4384	0.393	5	109.5688	0.075	27	109.5688	0.075	27	109.5688	0.075	27	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.5984	0.241	22	109.5688	0.075	27	109.5688	0.075	27	109.5688	0.075	27	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[3,6,6]C[5,5,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[3,6,6]C[5,5,6]N[5,6])	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,2|C<3>,2|O<2>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.8580	0.000	1	108.8580	0.000	1	108.8870	0.232	4	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.3420	0.000	1	108.8967	0.347	3	108.8870	0.232	4	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.1190	0.000	1	108.8967	0.347	3	108.8870	0.232	4	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.2290	0.000	1	108.8967	0.347	3	108.8870	0.232	4	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.7775	0.131	2	109.7775	0.017	2	109.7775	0.017	2	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.2210	0.000	1	108.2210	0.000	1	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.3916	1.571	9	108.3400	2.221	10	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8760	0.000	1	108.3400	2.221	10	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	106.9430	0.000	1	106.9430	0.000	1	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.3800	0.000	1	108.4434	1.173	7	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.8010	0.082	2	108.4434	1.173	7	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	106.0480	0.000	1	108.4434	1.173	7	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,4|C<3>,7|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.0247	0.101	3	108.4434	1.173	7	108.2983	1.613	19	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.3590	0.000	1	108.3590	0.000	1	109.1855	0.370	4	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,9|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.5760	0.000	1	109.4610	0.099	3	109.1855	0.370	4	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.4035	0.422	2	109.4610	0.099	3	109.1855	0.370	4	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H){11|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.9710	0.109	2	108.9710	0.012	2	108.9710	0.012	2	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){3|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	106.6470	0.000	1	106.6470	0.000	1	106.8645	0.095	2	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	107.0820	0.000	1	107.0820	0.000	1	106.8645	0.095	2	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]N[5,6]2)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]2)	109.2150	0.000	1	109.8083	0.265	3	109.8083	0.265	3	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]N[5,6]2)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]2)	110.1050	0.044	2	109.8083	0.265	3	109.8083	0.265	3	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,4|C<4>,6|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.5970	0.000	1	110.5648	11.385	4	110.0720	9.753	5	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	111.2207	3.807	3	110.5648	11.385	4	110.0720	9.753	5	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.1010	0.000	1	108.1010	0.000	1	110.0720	9.753	5	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H){3|C<3>,9|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.1680	0.000	1	109.1680	0.000	1	108.9733	0.067	3	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.6800	0.000	1	108.8760	0.077	2	108.9733	0.067	3	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,8|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.0720	0.000	1	108.8760	0.077	2	108.9733	0.067	3	108.8746	2.274	46	109.0027	1.442	112	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH)	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H){1|O<2>,5|H<1>,7|C<4>}	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH){1|C<3>,5|C<4>}	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	108.8047	1.912	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,3x6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]O[5]O)(CCO)	H(C[5,6,6]C[5,3x6]C[3x6]N[5])	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,2|C<4>,8|H<1>}	N[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]O[5]O)(CCO){1|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[3x6]N[5])	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	108.8047	1.912	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	107.9610	0.000	1	107.9610	0.000	1	107.4485	0.525	2	108.2420	2.152	3	108.8047	1.912	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	106.9360	0.000	1	106.9360	0.000	1	107.4485	0.525	2	108.2420	2.152	3	108.8047	1.912	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:S-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	108.2420	2.152	3	108.8047	1.912	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	109.6900	3.120	2	108.8047	1.912	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,4x6]-4:C[4x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5]-4:S-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H)	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|H<1>,6|C<4>}	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	109.6900	3.120	2	108.8047	1.912	7	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[3x5,6]	H	3:4:1:1:	4:4:4:	4:	N[3x5,6]-3:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH)	H(C[5,6]N[3x5,6]C[5,6]H)	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]N[3x5,6]C[5,6]H)	110.5095	0.028	2	110.5095	0.001	2	110.5095	0.001	2	110.5095	0.001	2	110.5095	0.001	2	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	110.0233	0.148	4	110.0789	0.013	8	110.0789	0.013	8	110.0789	0.013	8	110.0789	0.013	8	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	110.1345	0.009	4	110.0789	0.013	8	110.0789	0.013	8	110.0789	0.013	8	110.0789	0.013	8	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2{3|C<3>,4|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:3:3:1:	4:4:4:	4:	N[5,5,6]-3:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H)	H(C[5,6]N[5,5,6]C[6,6a]N[5])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H){4|H<1>,6|C<3>}	H(C[5,6]N[5,5,6]C[6,6a]N[5])	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2{1|S<4>,3|C<4>}	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){2|S<4>,3|C<4>,6|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.6585	0.022	2	110.6585	0.000	2	110.6585	0.000	2	110.6585	0.000	2	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2{3|C<3>,4|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.4360	0.031	2	110.4360	0.001	2	110.4360	0.001	2	110.2812	0.062	13	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(S[5,6]O[5,6]OO)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(S[5,6]O[5,6]OO){2|C<3>,3|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.6320	0.038	2	110.6320	0.001	2	110.5755	0.005	4	110.2812	0.062	13	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]OO)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	N[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]OO){5|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.5190	0.044	2	110.5190	0.002	2	110.5755	0.005	4	110.2812	0.062	13	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:S[5,5]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	N[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.0460	0.046	4	110.0460	0.002	4	110.0460	0.002	4	110.2812	0.062	13	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	S[5,5]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	N[5,5,6](S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)2{5|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.0993	0.051	3	110.0993	0.003	3	110.0993	0.003	3	110.2812	0.062	13	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:2:1:	4:4:4:	4:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C)	H(C[5,6]N[5,5,6]C[5,6]O[5])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C){1|N<3>,2|O<2>,6|H<1>}	H(C[5,6]N[5,5,6]C[5,6]O[5])	106.5615	1.599	2	106.5615	2.556	2	106.5615	2.556	2	108.0432	1.955	6	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:2:1:	4:4:4:	4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C)	H(C[5,6]N[5,5,6]C[6]O[5])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]N[5,5,6]C[6]O[5])	109.1770	0.057	2	109.1770	0.003	2	108.7840	0.211	4	108.0432	1.955	6	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:2:1:	4:4:4:	4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C)	H(C[5,6]N[5,5,6]C[6]O[5])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]N[5,5,6]C[6]O[5])	108.3910	0.116	2	108.3910	0.013	2	108.7840	0.211	4	108.0432	1.955	6	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,4|C<3>,8|H<1>}	H(C[5,6]N[5,5,6]C[5]C[6])	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H)	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])	H(C[5,6]N[5,5,6]C[5,6]C[5])	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H){1|O<2>,2|H<1>,5|C<4>}	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6]){10|H<1>,1|C<4>,3|O<2>}	H(C[5,6]N[5,5,6]C[5,6]C[5])	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	H(C[5,6]N[5,5,6]C[5]C[6])	109.2800	0.000	1	109.1325	0.044	2	109.1325	0.044	2	109.1325	0.044	2	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	H(C[5,6]N[5,5,6]C[5]C[6])	108.9850	0.000	1	109.1325	0.044	2	109.1325	0.044	2	109.1325	0.044	2	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H)	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C)	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C){1|I<1>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	108.7180	0.000	1	108.7180	0.000	1	108.0200	0.974	2	108.1283	0.522	3	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H)	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C)	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C){1|I<1>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	107.3220	0.000	1	107.3220	0.000	1	108.0200	0.974	2	108.1283	0.522	3	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,5,6]-3:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H)	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H)	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H){4|H<1>,6|C<3>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	108.1283	0.522	3	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]N[5,5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]H)	111.1620	0.020	2	111.1620	0.000	2	111.1620	0.000	2	111.1620	0.000	2	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]N[5,5,6]C)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,4|H<1>}	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){2|N<2>,7|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]C)	109.7880	0.000	1	110.2295	0.390	2	110.2295	0.390	2	110.2295	0.390	2	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]N[5,5,6]C)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,5|H<1>}	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){1|N<2>,1|N<3>,7|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]C)	110.6710	0.000	1	110.2295	0.390	2	110.2295	0.390	2	110.2295	0.390	2	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)	N[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(O[5]C[5,6])	H(C[5,6]C[5,6,6]N[5,5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	N[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]N[5,5,6]C[5])	111.0330	1.273	2	111.0330	1.620	2	111.0330	1.620	2	111.0330	1.620	2	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:S[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H)	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO)	H(C[5,6]C[5,5,6]N[5,5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]N[5,5,6]C)	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.7189	1.580	37	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.4180	0.000	1	109.4180	0.000	1	109.3851	4.010	8	109.3851	4.010	8	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	107.8820	0.000	1	107.8820	0.000	1	109.3851	4.010	8	109.3851	4.010	8	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.5890	0.000	1	109.5890	0.000	1	109.3851	4.010	8	109.3851	4.010	8	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.7320	0.000	1	109.7320	0.000	1	109.3851	4.010	8	109.3851	4.010	8	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|S<4>,3|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	113.6730	0.000	1	113.6730	0.000	1	109.3851	4.010	8	109.3851	4.010	8	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	107.5070	0.238	2	107.5070	0.056	2	109.3851	4.010	8	109.3851	4.010	8	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.7730	0.000	1	109.7730	0.000	1	109.3851	4.010	8	109.3851	4.010	8	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.5620	0.000	1	109.5620	0.000	1	109.6660	0.022	2	109.6660	0.022	2	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.7700	0.000	1	109.7700	0.000	1	109.6660	0.022	2	109.6660	0.022	2	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.7790	0.000	1	109.5597	0.224	3	109.5597	0.224	3	109.5597	0.224	3	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.4500	0.614	2	109.5597	0.224	3	109.5597	0.224	3	109.5597	0.224	3	109.4492	2.176	15	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	H(C[5,6]N[5,6,6]C[6,6a]C[5])	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){2|H<1>,8|C<3>}	H(C[5,6]N[5,6,6]C[6,6a]C[5])	108.4040	0.055	2	108.4040	0.003	2	108.4040	0.003	2	108.4040	0.003	2	108.4659	0.745	22	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH){1|I<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	107.9666	0.481	14	107.9666	0.231	14	107.9666	0.231	14	108.4720	0.822	20	108.4659	0.745	22	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|O<1>,3|C<4>,9|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.7490	0.000	2	109.4823	0.213	3	109.4823	0.213	3	108.4720	0.822	20	108.4659	0.745	22	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|I<1>,4|C<4>,9|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	108.9490	0.000	1	109.4823	0.213	3	109.4823	0.213	3	108.4720	0.822	20	108.4659	0.745	22	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<2>,4|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|O<1>,3|C<4>,9|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.6930	0.000	2	109.8207	0.049	3	109.8207	0.049	3	108.4720	0.822	20	108.4659	0.745	22	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){2|S<2>,3|C<4>,4|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|I<1>,4|C<4>,9|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	110.0760	0.000	1	109.8207	0.049	3	109.8207	0.049	3	108.4720	0.822	20	108.4659	0.745	22	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:2:3:1:	4:4:4:	4:	N[5,6]-3:O[6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO)	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H){1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO){3|C<3>}	H(C[5,6]N[5,6]C[5]O[6])	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:2:4:1:	4:3:4:	4:	N[5,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6]N[5,6]O[5,6]C[5])	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]O[5,6]C[5])	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:2:4:1:	4:4:3:	4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	H(C[5,6]N[5,6]C[5]S[6])	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]S[6])	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:2:4:1:	4:4:4:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]O[6])	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO){3|C<3>}	H(C[5,6]C[6,6a]N[5,6]O[5])	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	109.5138	2.014	5	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]O[5])	108.9650	0.000	1	108.6200	0.092	3	108.6200	0.092	3	109.5138	2.014	5	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]O[5])	108.4475	0.073	2	108.6200	0.092	3	108.6200	0.092	3	109.5138	2.014	5	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO){2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]O[5])	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	109.5138	2.014	5	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C)	H(C[5,6]C[5a,6]N[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C){1|N<3>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5a,6]N[5,6]N[5])	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:S[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]C[6a]N[6])	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]C[6a]N[6]){6|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	108.9455	0.117	2	108.9455	0.014	2	108.9455	0.014	2	108.4993	0.604	3	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	108.4993	0.604	3	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	110.0410	0.425	4	110.0410	0.181	4	110.0410	0.181	4	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(S[6]O[6]OO)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(S[6]O[6]OO){1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.2195	0.021	2	110.2195	0.000	2	110.2195	0.000	2	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH){1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.7490	0.000	1	109.7490	0.000	1	109.4210	0.093	3	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.3700	0.000	1	109.3700	0.000	1	109.4210	0.093	3	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.1440	0.000	1	109.1440	0.000	1	109.4210	0.093	3	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO){1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.0170	0.000	1	110.0170	0.000	1	110.0810	0.013	3	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(S[6]O[6]OO)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>,3|O<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(S[6]O[6]OO){1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.2150	0.000	1	110.2150	0.000	1	110.0810	0.013	3	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.0110	0.000	1	110.0110	0.000	1	110.0810	0.013	3	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H)	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]2C[6a])	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]2C[6a])	109.7190	0.051	2	109.7190	0.003	2	109.7190	0.003	2	109.7960	0.286	15	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:C[5,6]-3:C[5]-4:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:2:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.1000	0.000	1	107.1000	0.000	1	107.8250	1.051	2	107.8250	1.051	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:2:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5500	0.000	1	108.5500	0.000	1	107.8250	1.051	2	107.8250	1.051	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5])	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.8400	0.000	1	108.8400	0.000	1	108.8600	0.001	2	108.7583	0.031	3	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.8800	0.000	1	108.8800	0.000	1	108.8600	0.001	2	108.7583	0.031	3	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	108.7583	0.031	3	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC){1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	111.5710	0.000	1	111.5710	0.000	1	111.5710	0.000	1	111.1690	0.323	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	111.1690	0.323	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5]O[5]O){4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.6750	0.000	2	110.6750	0.000	2	110.6750	0.000	2	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.4690	0.000	1	109.4690	0.000	1	108.6603	0.816	3	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6850	0.000	1	107.6850	0.000	1	108.6603	0.816	3	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.8270	0.000	1	108.8270	0.000	1	108.6603	0.816	3	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.5530	0.000	2	107.8198	0.691	9	107.8198	0.691	9	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.5710	0.000	1	107.8198	0.691	9	107.8198	0.691	9	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<2>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.2445	0.142	2	107.8198	0.691	9	107.8198	0.691	9	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.8530	0.000	1	107.8198	0.691	9	107.8198	0.691	9	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.4530	0.579	3	107.8198	0.691	9	107.8198	0.691	9	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.4850	0.000	1	111.4850	0.000	1	111.5395	0.006	2	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	111.5940	0.000	1	111.5940	0.000	1	111.5395	0.006	2	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	H(C[5,6]N[5,6]2C[5])	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]N[5,6]2C[5])	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	109.0892	2.518	20	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.5320	0.810	2	109.5320	0.657	2	109.5320	0.657	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]BrH)(S[6]C[6,6a]OO)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,2|O<1>,5|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]BrH)(S[6]C[6,6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	110.7140	0.605	5	110.7140	0.366	5	110.7140	0.366	5	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	106.6460	0.000	1	107.4165	0.325	4	107.4165	0.325	4	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.6733	0.304	3	107.4165	0.325	4	107.4165	0.325	4	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.7590	0.000	1	109.5755	1.333	2	109.1218	1.238	6	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	110.3920	0.000	1	109.5755	1.333	2	109.1218	1.238	6	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	107.1380	0.000	1	107.1380	0.000	1	109.1218	1.238	6	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.4807	0.248	3	109.4807	0.062	3	109.1218	1.238	6	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.8380	0.000	1	106.8380	0.000	1	106.7430	0.018	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.6480	0.000	1	106.6480	0.000	1	106.7430	0.018	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(SC[6a]OO)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H){3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.1720	0.000	1	106.1720	0.000	1	107.3195	2.634	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|S<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.4670	0.000	1	108.4670	0.000	1	107.3195	2.634	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO){2|C<2>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5250	0.000	1	108.5250	0.000	1	108.9145	0.303	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO){3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.3040	0.000	1	109.3040	0.000	1	108.9145	0.303	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,4|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5605	0.054	2	109.5605	0.003	2	109.5605	0.003	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(SC[6a]OO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.2000	0.109	2	110.2000	0.012	2	110.2000	0.012	2	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	109.0847	2.442	34	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:2:1:	4:3:4:	4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]O[5])	110.1750	0.100	2	110.1750	0.010	2	110.1750	0.010	2	110.1750	0.010	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:2:	4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H){3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]N[5,6]O[5])	106.2660	0.000	1	106.2660	0.000	1	106.2660	0.000	1	106.2660	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]O[6])	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]N[5,6]C[6]O[5])	107.7570	0.000	1	107.7570	0.000	1	107.5630	0.075	2	107.5630	0.075	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:2:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	H(C[5,6]N[5,6]C[6]O[5])	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	107.3690	0.000	1	107.3690	0.000	1	107.5630	0.075	2	107.5630	0.075	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	108.7330	1.862	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H){1|C<3>,2|C<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	108.7330	1.862	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	108.2960	0.000	1	108.2960	0.000	1	107.5782	0.245	4	107.5782	0.245	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.2880	0.178	2	107.2880	0.032	2	107.5782	0.245	4	107.5782	0.245	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4410	0.000	1	107.4410	0.000	1	107.5782	0.245	4	107.5782	0.245	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.3170	0.000	1	110.2070	0.024	2	110.2070	0.024	2	110.2070	0.024	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0970	0.000	1	110.2070	0.024	2	110.2070	0.024	2	110.2070	0.024	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:2:	4:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	H(C[5,6]C[6,6a]C[3,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<3>}	H(C[5,6]C[6,6a]C[3,5]N[5,6])	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	108.1170	0.088	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:2:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.1170	0.088	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.3680	0.000	2	108.3680	0.000	2	108.3680	0.000	2	109.5695	2.195	13	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6005	0.066	2	107.8610	0.206	3	107.8610	0.206	3	109.5695	2.195	13	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.3820	0.000	1	107.8610	0.206	3	107.8610	0.206	3	109.5695	2.195	13	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2920	0.000	3	109.2920	0.000	3	109.2920	0.000	3	109.5695	2.195	13	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0940	0.000	2	111.0940	0.000	2	111.2416	0.018	5	109.5695	2.195	13	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	N[5,6](C[5,6]C[5]C[6]H)2(NHS)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3400	0.000	3	111.3400	0.000	3	111.2416	0.018	5	109.5695	2.195	13	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.4770	0.000	1	109.0450	0.645	2	109.0450	0.645	2	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	109.6130	0.000	1	109.0450	0.645	2	109.0450	0.645	2	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7645	0.466	2	110.7645	0.217	2	110.7645	0.217	2	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.3423	0.646	3	112.3423	0.418	3	112.5402	0.283	5	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]CC)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]CC){1|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.8370	0.038	2	112.8370	0.001	2	112.5402	0.283	5	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H)	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH)	H(C[5,6]N[5,6]C[6]N[5])	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH){1|N<3>,2|O<1>,3|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[6]N[5])	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	109.9745	3.885	19	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(O[5]C[5]){10|H<1>,1|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.7395	0.172	2	109.7395	0.030	2	109.7395	0.030	2	107.9222	4.718	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	104.2920	0.000	1	104.2920	0.000	1	106.7350	11.936	2	107.9222	4.718	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1780	0.000	1	109.1780	0.000	1	106.7350	11.936	2	107.9222	4.718	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.4540	0.000	1	106.4540	0.000	1	106.4540	0.000	1	107.9222	4.718	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:S[6]-4:N[5]-2:	C[5,6]-4:	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6]OO)(N[5]C[5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H){1|H<1>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6]OO)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.1300	0.000	1	108.1300	0.000	1	108.1300	0.000	1	107.9222	4.718	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.6150	0.000	1	107.6150	0.000	1	107.9563	0.135	3	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.1270	0.308	2	108.1270	0.095	2	107.9563	0.135	3	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(CC[6a]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(CC[6a]O){1|N<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1760	0.000	1	111.1760	0.000	1	110.1080	3.148	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0815	2.942	2	109.0815	8.657	2	110.1080	3.148	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CC[3]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CC[3]O){1|N<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.6005	0.450	2	110.6005	0.203	2	110.1080	3.148	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(NHS)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2260	0.000	3	111.2260	0.000	3	110.0670	2.999	9	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4875	1.895	6	109.4875	3.589	6	110.0670	2.999	9	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir){2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5360	0.000	1	110.5360	0.000	1	110.6637	0.107	3	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4190	0.000	1	110.4190	0.000	1	110.6637	0.107	3	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0360	0.000	1	111.0360	0.000	1	110.6637	0.107	3	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	106.1490	0.000	1	106.1490	0.000	1	106.8952	3.111	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.0440	0.000	1	106.3290	0.162	2	106.8952	3.111	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	106.6140	0.000	1	106.3290	0.162	2	106.8952	3.111	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.6760	0.000	1	105.6760	0.000	1	106.8952	3.111	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9930	0.000	1	109.9930	0.000	1	106.8952	3.111	5	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	109.4169	4.090	27	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.2920	0.000	1	110.2920	0.000	1	110.0377	0.063	3	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.9105	0.170	2	109.9105	0.029	2	110.0377	0.063	3	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:S[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]3)(S[6]O[6]OO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]3)(S[6]O[6]OO){1|C<3>,3|C<4>,9|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1965	0.375	4	110.1965	0.141	4	110.1965	0.141	4	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7957	0.069	4	110.7957	0.005	4	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3090	0.000	1	110.8508	0.455	6	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.2580	0.000	1	110.8508	0.455	6	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2695	1.056	2	110.8508	0.455	6	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){3|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4995	0.064	2	110.8508	0.455	6	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<3>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7375	0.032	2	110.7375	0.001	2	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.9405	0.180	4	110.9405	0.032	4	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.6180	0.000	1	110.6753	10.210	12	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.5260	0.000	1	110.6753	10.210	12	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.8015	0.047	2	110.6753	10.210	12	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.5200	4.262	6	110.6753	10.210	12	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1185	0.231	2	110.6753	10.210	12	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0750	0.000	1	111.0750	0.000	1	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1340	0.576	2	111.1340	0.331	2	110.8055	3.854	31	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:S[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(S[6]O[6]OO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(S[6]O[6]OO){1|C<3>,3|C<4>,9|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8190	0.000	1	108.8190	0.000	1	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.6900	0.000	1	107.6900	0.000	1	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|O<1>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6945	0.258	4	108.6945	0.067	4	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1620	0.000	1	108.3900	0.104	2	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6180	0.000	1	108.3900	0.104	2	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6490	0.000	1	110.5020	6.867	2	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.3550	0.000	1	110.5020	6.867	2	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.7520	0.000	1	107.7520	0.000	1	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.0680	0.000	1	107.0680	0.000	1	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Al<4>,1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){1|Al<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3725	0.173	2	108.6043	0.176	3	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0680	0.000	1	108.6043	0.176	3	108.6469	1.342	15	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(S[6]N[6]OO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(S[6]N[6]OO){1|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.2000	0.115	3	108.2000	0.013	3	108.2000	0.013	3	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7100	0.000	1	109.7100	0.000	1	109.7100	0.000	1	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8252	1.396	5	108.8252	1.948	5	108.8252	1.948	5	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2230	0.000	1	109.2230	0.000	1	111.2680	8.364	2	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	113.3130	0.000	1	113.3130	0.000	1	111.2680	8.364	2	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[5a,6]OO)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[5a,6]OO)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1582	0.306	4	110.1582	0.093	4	109.8427	0.678	8	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5,6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5,6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1750	0.000	1	110.1750	0.000	1	109.8427	0.678	8	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5180	0.000	1	108.5180	0.000	1	109.8427	0.678	8	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7080	1.472	2	109.7080	2.167	2	109.8427	0.678	8	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1330	0.000	1	109.1940	0.007	2	109.1940	0.007	2	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2550	0.000	1	109.1940	0.007	2	109.1940	0.007	2	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9850	0.000	1	107.9850	0.000	1	108.8085	1.356	2	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6320	0.000	1	109.6320	0.000	1	108.8085	1.356	2	109.8696	2.940	81	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<4>,5|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|N<4>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.2990	0.047	4	111.2990	0.002	4	111.0398	0.369	6	111.0398	0.369	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]N[5,6]H)	110.5215	1.016	2	110.5215	1.032	2	111.0398	0.369	6	111.0398	0.369	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|F<1>,1|N<3>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.5050	0.010	2	111.5050	0.000	2	111.5050	0.000	2	109.8339	3.486	10	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C)	H(C[5,6]C[5,6,6]N[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C){4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]N[5,6]H)	108.4215	1.974	4	108.4215	3.897	4	108.4215	3.897	4	109.8339	3.486	10	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2{2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]N[5,6]H)	111.4440	0.014	2	111.4440	0.000	2	110.4108	1.597	4	109.8339	3.486	10	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]C)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]C){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	109.3775	0.722	2	109.3775	0.521	2	110.4108	1.597	4	109.8339	3.486	10	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.4755	0.334	4	111.4755	0.112	4	111.4755	0.112	4	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.8605	0.046	2	111.8605	0.002	2	111.4780	0.067	9	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|P<4>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.3186	0.165	5	111.3687	0.026	7	111.4780	0.067	9	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|P<3>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.4940	0.047	2	111.3687	0.026	7	111.4780	0.067	9	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	110.9994	0.224	26	110.9994	0.050	26	110.9994	0.050	26	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:Br-1:H-1:	C[5,6]-4:C[5,6]-4:S[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]BrH)(S[6]C[6,6a]OO)	H(C[5,6]C[5,6]N[5,6]Br)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]BrH)(S[6]C[6,6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]Br)	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.2195	0.008	2	110.9643	0.799	6	110.9643	0.799	6	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	110.8367	1.126	4	110.9643	0.799	6	110.9643	0.799	6	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]BrH)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{2|Br<1>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]BrH){1|Br<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.5350	0.038	2	111.5350	0.001	2	109.2060	11.228	4	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]CH)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	106.8770	3.462	2	106.8770	11.985	2	109.2060	11.228	4	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	N[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]N[5,6]2H)	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	H(C[5,6]N[5,6]2H)	111.2112	0.212	12	111.2112	0.045	12	111.2112	0.045	12	111.0131	0.933	62	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:2:1:	3:4:4:	4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH)	H(C[5,6]C[5,5]N[5,6]O[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH){1|S<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,5]N[5,6]O[6])	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:2:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH)	H(C[5,6]C[5,5]N[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]O[6])	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	110.2816	0.323	9	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:2:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6]N[5,6]O[5])	110.5372	0.614	5	110.3662	0.477	6	110.3662	0.477	6	110.2816	0.323	9	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:2:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6]N[5,6]O[5])	109.5110	0.000	1	110.3662	0.477	6	110.3662	0.477	6	110.2816	0.323	9	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:2:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H)	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]N[5,6]S[5])	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]S[5])	110.2110	0.109	2	110.2110	0.012	2	110.2110	0.012	2	110.2816	0.323	9	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C){4|H<1>,5|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	3:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:D-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(D)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(D){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:2:	4:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP)	H(C[5,6]C[5,5,6]N[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H){1|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C)	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.0210	0.013	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:2:	4:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6]N[5,6]C[6a])	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5]){1|S<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6a])	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	110.0210	0.013	2	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]N[5,6]N)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2){2|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,6]N)	110.3442	0.185	4	110.3442	0.034	4	110.3442	0.034	4	110.3442	0.034	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)	H(C[5,6]C[5,5,6]N[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H){1|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C)	109.7315	0.890	2	109.7315	0.793	2	109.7315	0.793	2	110.9890	2.835	11	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5]C[5,6]N[5,6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,4|H<1>,5|C<4>}	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]N[5,6])	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	110.9890	2.835	11	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[5,5]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5]C[5,6]N[5,6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|N<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]N[5,6])	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	110.9890	2.835	11	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	110.9890	2.835	11	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]N[6])	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	110.9890	2.835	11	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6]C[5]H)2(SC[6a]OO)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6]C[5]H)2(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	113.1290	0.098	2	113.1290	0.010	2	113.1290	0.010	2	110.9890	2.835	11	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.0850	0.331	3	112.0850	0.109	3	112.0850	0.109	3	110.9890	2.835	11	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	107.4150	0.000	1	107.4150	0.000	1	108.9518	1.121	5	109.1138	1.054	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.9550	0.000	2	109.9550	0.000	2	108.9518	1.121	5	109.1138	1.054	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.7170	0.000	2	108.7170	0.000	2	108.9518	1.121	5	109.1138	1.054	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.1138	1.054	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:2:2:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H)	N[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H){1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5])	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.4057	1.260	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	109.4057	1.260	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:2:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.4057	1.260	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC){1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	109.4057	1.260	4	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[3,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5,6]C[3,6]N[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[3,6]N[5,6]C[5])	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	110.6683	0.260	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	110.6683	0.260	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	110.6683	0.260	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5]O[5]O){4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.6160	0.000	2	110.6160	0.000	2	110.6160	0.000	2	110.6683	0.260	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	110.6683	0.260	6	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]N[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,7|H<1>}	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C[6])	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H){1|C<4>,2|O<2>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	109.4310	0.000	1	109.4310	0.000	1	108.7805	0.846	2	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.1300	0.000	1	108.1300	0.000	1	108.7805	0.846	2	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.3443	0.095	4	108.3443	0.009	4	108.3443	0.009	4	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.6990	0.133	4	110.2977	1.187	15	110.2977	1.187	15	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.5154	1.209	11	110.2977	1.187	15	110.2977	1.187	15	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.2500	0.000	1	107.8977	0.278	3	107.8977	0.278	3	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.7215	0.609	2	107.8977	0.278	3	107.8977	0.278	3	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,7|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,2|S<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	112.9350	0.000	1	112.9350	0.000	1	112.9350	0.000	1	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:P[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H){1|O<2>,1|S<1>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.8515	0.260	2	107.8515	0.067	2	107.8515	0.067	2	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0610	0.000	1	109.0610	0.000	1	109.7261	0.135	8	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8825	0.069	2	109.8825	0.005	2	109.7261	0.135	8	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7966	0.324	5	109.7966	0.105	5	109.7261	0.135	8	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9223	1.588	3	107.9223	2.521	3	107.9223	2.521	3	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.2980	0.000	1	108.2980	0.000	1	108.5020	0.083	2	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7060	0.000	1	108.7060	0.000	1	108.5020	0.083	2	109.4049	1.969	43	109.7915	2.663	426	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:2:3:1:	4:4:4:	4:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO)	H(C[5,6]C[6,6a]O[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	H(C[5,6]C[6,6a]O[5,6]N[5])	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.0180	0.000	1	110.1145	0.019	2	110.1145	0.019	2	110.1145	0.019	2	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>,3|O<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.2110	0.000	1	110.1145	0.019	2	110.1145	0.019	2	110.1145	0.019	2	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,6]C[5a,6]N[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5a,6]N[5,6]N[5])	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	109.5798	0.200	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<2>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	109.5798	0.200	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.3650	0.000	1	109.3650	0.000	1	109.6890	0.086	3	109.5798	0.200	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.7670	0.000	1	109.7670	0.000	1	109.6890	0.086	3	109.5798	0.200	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.9350	0.000	1	109.9350	0.000	1	109.6890	0.086	3	109.5798	0.200	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	111.4210	0.000	1	111.4210	0.000	1	110.2045	1.037	8	110.2045	1.037	8	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3){3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	111.8820	0.000	1	111.8820	0.000	1	110.2045	1.037	8	110.2045	1.037	8	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.0473	0.255	4	109.7222	0.315	6	110.2045	1.037	8	110.2045	1.037	8	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.0720	0.331	2	109.7222	0.315	6	110.2045	1.037	8	110.2045	1.037	8	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.0515	0.583	2	108.0515	0.340	2	108.0515	0.340	2	108.0515	0.340	2	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	109.3400	0.101	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.3400	0.101	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4160	0.000	2	109.4160	0.000	2	109.4160	0.000	2	109.3400	0.101	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]3)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]3)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9295	0.637	2	108.9295	0.406	2	108.9295	0.406	2	109.3293	0.404	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.3720	0.000	1	109.8580	0.528	2	109.5292	0.378	4	109.3293	0.404	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3440	0.000	1	109.8580	0.528	2	109.5292	0.378	4	109.3293	0.404	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(H){2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4960	0.000	1	109.4960	0.000	1	109.5292	0.378	4	109.3293	0.404	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9050	0.000	1	108.9050	0.000	1	109.5292	0.378	4	109.3293	0.404	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|O<2>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2400	0.718	2	110.2400	0.516	2	109.8720	0.362	6	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.4317	0.223	3	109.4317	0.050	3	109.8720	0.362	6	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4570	0.000	1	110.4570	0.000	1	109.8720	0.362	6	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5])	112.9070	0.000	1	112.9070	0.000	1	112.8230	0.014	2	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5])	112.7390	0.000	1	112.7390	0.000	1	112.8230	0.014	2	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7550	0.000	1	109.4180	0.416	5	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.1960	0.000	1	109.4180	0.416	5	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8715	0.210	2	109.4180	0.416	5	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.3960	0.000	1	109.4180	0.416	5	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.8990	0.000	1	108.8990	0.000	1	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2725	0.074	2	109.2725	0.006	2	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7360	0.472	2	109.7360	0.223	2	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7852	0.196	5	109.7852	0.038	5	109.5288	0.218	15	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]CH)(SC[6a]OO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	109.9974	1.304	25	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:2:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.6220	0.000	1	110.6220	0.000	1	110.9235	0.182	2	110.9235	0.182	2	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:2:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.2250	0.000	1	111.2250	0.000	1	110.9235	0.182	2	110.9235	0.182	2	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:2:3:1:	4:4:4:	4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	110.7550	0.160	2	110.7550	0.026	2	110.7550	0.026	2	110.7550	0.026	2	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H){2|C<4>,7|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]N[5]O[6])	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2N[5])	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.2753	1.098	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.5860	0.000	2	109.5860	0.000	2	109.5860	0.000	2	109.2753	1.098	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	109.2753	1.098	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	107.8780	0.000	1	107.8780	0.000	1	108.7243	0.387	6	109.2753	1.098	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.3970	0.000	1	108.3970	0.000	1	108.7243	0.387	6	109.2753	1.098	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.3170	0.000	1	109.3170	0.000	1	108.7243	0.387	6	109.2753	1.098	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.9180	0.570	3	108.9180	0.324	3	108.7243	0.387	6	109.2753	1.098	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.5010	0.000	1	108.5010	0.000	1	108.2295	0.147	2	108.5207	0.166	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.9580	0.000	1	107.9580	0.000	1	108.2295	0.147	2	108.5207	0.166	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8120	0.100	2	108.8120	0.010	2	108.8120	0.010	2	108.5207	0.166	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(NOO){1|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH)	H(C[5,6]C[5,5,6]N[5,6]N[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]N[5,6]N[5])	109.2860	0.000	1	109.2860	0.000	1	109.2955	0.000	2	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	H(C[5,6]C[5,5,6]N[5,6]N[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]N[5,6]N[5])	109.3050	0.000	1	109.3050	0.000	1	109.2955	0.000	2	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.8610	0.000	1	109.8610	0.000	1	109.7075	0.047	2	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.5540	0.000	1	109.5540	0.000	1	109.7075	0.047	2	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(SCOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(SCOO){1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.5700	0.000	1	110.5700	0.000	1	110.5700	0.000	1	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]N[5]N[6])	107.4200	0.000	1	107.4200	0.000	1	108.5683	1.248	3	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	108.6340	0.000	1	108.6340	0.000	1	108.5683	1.248	3	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	109.6510	0.000	1	109.6510	0.000	1	108.5683	1.248	3	109.3428	0.634	11	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H)	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)(SCO)	H(C[5,6]C[5,5,6]C[6,6a]N[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)(SCO){1|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[6,6a]N[5])	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	111.0464	0.214	91	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.7670	0.309	12	110.7585	0.076	15	111.0606	0.198	90	111.0464	0.214	91	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.7247	0.078	3	110.7585	0.076	15	111.0606	0.198	90	111.0464	0.214	91	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.2300	0.280	4	111.1210	0.201	75	111.0606	0.198	90	111.0464	0.214	91	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.1148	0.457	71	111.1210	0.201	75	111.0606	0.198	90	111.0464	0.214	91	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.3440	0.000	1	108.2945	0.005	2	108.2945	0.005	2	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.2450	0.000	1	108.2945	0.005	2	108.2945	0.005	2	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(SC[6a]OO)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.3592	1.037	5	109.3592	1.075	5	109.4727	0.937	6	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.0400	0.000	1	110.0400	0.000	1	109.4727	0.937	6	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH){1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.2420	0.403	2	109.2420	0.162	2	109.2420	0.162	2	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|N<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]N[5]N[6])	108.2665	0.104	2	108.2665	0.011	2	108.2665	0.011	2	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	109.8090	1.455	2	109.8090	2.118	2	109.8090	2.118	2	109.4124	1.517	16	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	109.8267	1.540	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.7010	0.000	1	110.7010	0.000	1	110.0967	1.236	6	109.8267	1.540	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1040	1.343	4	110.1040	1.804	4	110.0967	1.236	6	109.8267	1.540	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.4630	0.000	1	109.4630	0.000	1	110.0967	1.236	6	109.8267	1.540	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.7220	0.000	1	108.7220	0.000	1	109.4623	0.421	3	109.4623	0.421	3	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.8325	0.142	2	109.8325	0.020	2	109.4623	0.421	3	109.4623	0.421	3	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	109.0730	1.129	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H){1|H<1>,2|O<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.0730	1.129	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:P[5]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2){1|Fe<10>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3445	1.122	2	108.3445	1.259	2	108.3445	1.259	2	109.0730	1.129	4	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.0648	0.487	6	108.1251	0.223	7	108.4454	1.012	8	108.7194	1.126	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.4870	0.000	1	108.1251	0.223	7	108.4454	1.012	8	108.7194	1.126	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.6870	0.000	1	110.6870	0.000	1	108.4454	1.012	8	108.7194	1.126	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	108.7194	1.126	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H)	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	108.7194	1.126	10	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[5,6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[5,6]C[6]H)(CH3){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3515	0.333	2	108.3515	0.111	2	108.3515	0.111	2	108.3515	0.111	2	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]2N[5])	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2N[5])	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	109.8609	1.338	9	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0173	0.411	3	110.0173	0.169	3	109.4678	2.167	5	109.8609	1.338	9	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.9020	0.000	1	106.9020	0.000	1	109.4678	2.167	5	109.8609	1.338	9	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.3850	0.000	1	110.3850	0.000	1	109.4678	2.167	5	109.8609	1.338	9	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	110.4887	0.196	3	110.4887	0.038	3	110.4887	0.038	3	109.8609	1.338	9	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.8660	0.000	1	110.8660	0.000	1	109.8484	1.093	5	109.8484	1.093	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|N<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.1670	0.704	2	109.1670	0.496	2	109.8484	1.093	5	109.8484	1.093	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0590	0.000	1	110.0210	1.851	2	109.8484	1.093	5	109.8484	1.093	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.9830	0.000	1	110.0210	1.851	2	109.8484	1.093	5	109.8484	1.093	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(OC)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(OC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6010	0.253	2	108.6010	0.064	2	108.6010	0.064	2	109.4633	2.263	3	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	109.4633	2.263	3	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5,5,6]C[6,6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6,6]N[5])	108.6605	0.585	2	108.6605	0.342	2	108.6605	0.342	2	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8233	0.078	3	108.8233	0.006	3	108.6188	0.163	21	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5043	0.264	17	108.5043	0.070	17	108.6188	0.163	21	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9520	0.000	1	109.9520	0.000	1	108.6188	0.163	21	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<1>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4960	0.000	1	108.4960	0.000	1	109.7360	3.075	2	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.9760	0.000	1	110.9760	0.000	1	109.7360	3.075	2	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0725	0.029	2	108.0725	0.001	2	108.0725	0.001	2	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO){1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	105.9283	1.217	3	105.9283	1.481	3	105.9283	1.481	3	108.3906	1.134	30	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H){11|H<1>,1|O<2>,3|C<4>}	N[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|S<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2N[5])	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.5965	0.439	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3420	0.403	2	109.3420	0.162	2	108.5966	0.549	5	108.5965	0.439	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0415	0.402	2	108.0415	0.162	2	108.5966	0.549	5	108.5965	0.439	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2160	0.000	1	108.2160	0.000	1	108.5966	0.549	5	108.5965	0.439	6	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5])	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6457	0.212	3	109.6457	0.045	3	109.6457	0.045	3	109.8404	0.130	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:S-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5])	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5]){1|Br<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.4920	0.000	1	109.4920	0.000	1	109.9865	0.165	4	109.8404	0.130	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:S-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5])	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2770	0.000	1	110.1513	0.084	3	109.9865	0.165	4	109.8404	0.130	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:S-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5])	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0885	0.380	2	110.1513	0.084	3	109.9865	0.165	4	109.8404	0.130	7	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.0510	0.000	1	107.0510	0.000	1	108.5263	1.649	3	108.7072	0.896	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.1370	0.000	1	109.1370	0.000	1	108.5263	1.649	3	108.7072	0.896	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3910	0.000	1	109.3910	0.000	1	108.5263	1.649	3	108.7072	0.896	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCO){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9785	0.200	2	108.9785	0.040	2	108.9785	0.040	2	108.7072	0.896	5	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3,5,6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H)	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2	H(C[5,6]C[3,5,6]C[5,6,6]N[5])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H){2|C<3>,3|C<4>,7|H<1>}	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]N[5])	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	109.9620	0.000	1	109.9620	0.000	1	110.0945	0.035	2	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	110.2270	0.000	1	110.2270	0.000	1	110.0945	0.035	2	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6,6]C[3x6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5,6]C[5,6,6]C[3x6]N[5])	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	N[5](C[5,6]C[5,6,6]C[3x6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[3x6]N[5])	108.4180	0.698	3	108.4180	0.487	3	108.4180	0.487	3	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,5,6,6]C[6]N[5])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	N[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[6]N[5])	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.9390	0.000	1	109.9390	0.000	1	109.2695	0.896	2	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.6000	0.000	1	108.6000	0.000	1	109.2695	0.896	2	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,6|C<4>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH){4|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	108.1690	0.565	4	108.1690	0.319	4	108.1690	0.319	4	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,3|O<2>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.2960	0.315	2	109.2960	0.099	2	109.2960	0.099	2	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH){4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.2815	0.443	4	110.2815	0.196	4	110.2815	0.196	4	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.3630	0.000	1	111.3630	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6180	0.000	1	108.6180	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.0667	0.180	4	112.0667	0.032	4	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H){1|C<4>,1|S<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.0840	0.000	1	108.0840	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5200	0.000	1	109.5200	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|W<7>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.2570	0.000	1	106.2570	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7340	0.000	1	108.7340	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH){3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5820	0.000	1	109.5820	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7528	0.513	4	109.7528	0.263	4	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8740	0.000	1	109.8740	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5620	0.000	1	109.5620	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4680	0.000	1	108.4680	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6780	0.000	1	108.6780	0.000	1	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.1821	1.782	20	111.1821	3.174	20	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0640	0.305	2	109.0640	0.093	2	110.4338	3.209	41	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.5815	1.272	2	111.5815	1.618	2	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCOO){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7745	0.047	2	109.7745	0.002	2	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<2>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.9010	0.443	2	109.1157	0.637	7	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|F<1>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7290	0.000	1	109.1157	0.637	7	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7380	0.000	1	109.1157	0.637	7	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3595	0.989	2	109.1157	0.637	7	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.8220	0.000	1	109.1157	0.637	7	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9040	0.000	1	109.9040	0.000	1	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2630	0.000	1	110.2630	0.000	1	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8850	0.000	1	109.8850	0.000	1	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2370	0.000	1	110.4070	0.065	3	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4920	0.293	2	110.4070	0.065	3	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2000	0.000	1	110.2000	0.000	1	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){2|O<2>,3|C<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1794	1.916	5	110.0535	3.030	6	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){4|C<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.4240	0.000	1	110.0535	3.030	6	109.9298	1.384	24	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.2879	0.339	14	108.3855	0.150	28	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<2>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.4830	0.421	14	108.3855	0.150	28	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7660	1.051	4	107.7660	1.104	4	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.6620	0.099	2	108.6620	0.010	2	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2550	0.000	1	108.2550	0.000	1	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3857	0.298	6	108.3857	0.089	6	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.4200	2.968	7	109.4200	8.806	7	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]PdO)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]PdO)(CC[6a]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8475	0.069	2	108.8475	0.005	2	108.5077	1.419	50	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:P[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]O)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	106.5610	0.000	1	106.5610	0.000	1	106.5610	0.000	1	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.4196	2.575	137	109.7285	1.927	430	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,5,6]C[5]H)	110.6630	0.000	1	110.6630	0.000	1	110.7510	0.004	5	110.7510	0.004	5	110.6021	0.574	12	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]N[5,5,6]C[5]H)	110.7730	0.040	4	110.7730	0.002	4	110.7510	0.004	5	110.7510	0.004	5	110.6021	0.574	12	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){2|O<2>,5|H<1>}	H(C[5]N[5,5,6]C[5]H)	110.4160	0.034	2	110.4160	0.001	2	111.0208	0.307	5	110.4957	1.019	7	110.6021	0.574	12	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){1|N<2>,1|N<3>,7|H<1>}	H(C[5]N[5,5,6]C[5]H)	111.4200	0.075	2	111.4240	0.003	3	111.0208	0.307	5	110.4957	1.019	7	110.6021	0.574	12	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){2|N<2>,7|H<1>}	H(C[5]N[5,5,6]C[5]H)	111.4320	0.000	1	111.4240	0.003	3	111.0208	0.307	5	110.4957	1.019	7	110.6021	0.574	12	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	H(C[5]N[5,5,6]C[5]H)	109.1830	0.245	2	109.1830	0.060	2	109.1830	0.060	2	110.4957	1.019	7	110.6021	0.574	12	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	3:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2{1|C<4>,1|S<2>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2{4|H<1>}	H(C[5]N[5,5]S[5]H)	110.5657	2.128	4	110.5657	4.529	4	110.5657	4.529	4	110.5657	4.529	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]N[5,5]S[5]H)	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	110.1898	0.151	10	110.1898	0.023	10	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,7|H<1>}	H(C[5]N[5,5]S[5]H)	110.2505	0.035	2	110.2505	0.001	2	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	110.1850	0.000	1	110.1850	0.000	1	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	H(C[5]N[5,5]S[5]H)	110.4030	0.006	2	110.4996	0.184	8	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]N[5,5]S[5]H)	110.1710	0.006	2	110.4996	0.184	8	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,4|H<1>,5|C<3>}	H(C[5]N[5,5]S[5]H)	110.7122	0.540	4	110.4996	0.184	8	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	110.6077	0.422	4	110.3556	0.191	7	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]S[5]H)	110.1150	0.000	1	110.3556	0.191	7	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]S[5]H)	109.9715	0.054	2	110.3556	0.191	7	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	110.1945	0.015	4	110.1520	0.004	7	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]N[5,5]S[5]H)	110.0953	0.063	3	110.1520	0.004	7	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	111.0778	0.062	6	110.9654	0.053	23	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]S[5]H)	110.9258	0.255	17	110.9654	0.053	23	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]S[5]H)	110.2155	0.026	2	110.2024	0.009	9	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	110.2827	0.019	3	110.2024	0.009	9	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|O<1>,4|C<3>,5|H<1>}	H(C[5]N[5,5]S[5]H)	110.2215	0.018	2	110.2024	0.009	9	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	110.0500	0.006	2	110.2024	0.009	9	110.5099	0.180	67	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5]S[5]H)	111.1530	0.187	6	111.1530	0.035	6	110.6359	0.275	13	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH){4|C<3>,4|H<1>}	H(C[5]N[5,5]S[5]H)	110.3700	0.023	2	110.3700	0.001	2	110.6359	0.275	13	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH){3|C<3>,3|H<1>}	H(C[5]N[5,5]S[5]H)	110.0070	0.037	2	110.0070	0.001	2	110.6359	0.275	13	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH){3|C<3>,3|H<1>}	H(C[5]N[5,5]S[5]H)	110.1983	0.088	3	110.1983	0.008	3	110.6359	0.275	13	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(S[5]C[5])(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5,6])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	110.3915	0.043	2	110.3915	0.002	2	110.3915	0.002	2	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:1:1:	4:4:4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5]S[5]H)	110.3655	0.023	2	110.3655	0.001	2	110.3655	0.001	2	110.5208	0.184	85	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:3:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5]O[5]C)	107.5093	0.287	3	107.5093	0.082	3	107.5093	0.082	3	107.5093	0.082	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]N[5,5]O[5]C)	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	107.6437	1.351	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[5]N[5,5]O[5]C)	107.1140	0.000	1	107.6899	1.150	9	107.6899	1.150	9	107.6437	1.351	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	H(C[5]N[5,5]O[5]C)	106.4205	0.118	2	107.6899	1.150	9	107.6899	1.150	9	107.6437	1.351	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	H(C[5]N[5,5]O[5]C)	108.3050	0.745	4	107.6899	1.150	9	107.6899	1.150	9	107.6437	1.351	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,5|H<1>}	H(C[5]N[5,5]O[5]C)	109.0740	0.000	1	107.6899	1.150	9	107.6899	1.150	9	107.6437	1.351	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5]O[5]C)	106.9600	0.000	1	107.6899	1.150	9	107.6899	1.150	9	107.6437	1.351	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:3:	4:	N[5,5]-3:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<2>,5|H<1>}	H(C[5]N[5,5]S[5]C)	107.6980	1.824	3	107.6980	3.326	3	107.6980	3.326	3	107.6437	1.351	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:2:4:1:	4:4:4:	4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH)	H(C[5]N[5,5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH){1|O<1>,4|H<1>}	H(C[5]N[5,5]O[5]C)	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.3320	0.025	3	111.3320	0.001	3	111.3320	0.001	3	111.3320	0.001	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2{1|C<4>,5|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH){2|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	111.1810	0.045	2	111.1810	0.002	2	111.1810	0.002	2	111.1810	0.002	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){5|C<3>}	H(C[5]N[5,5]C[5]H)	111.0215	0.036	2	111.0215	0.001	2	111.0215	0.001	2	111.0215	0.001	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5]H)	111.4490	0.020	2	111.4490	0.000	2	111.4490	0.000	2	111.2009	0.026	8	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.1088	0.072	4	111.1088	0.005	4	111.1182	0.003	6	111.2009	0.026	8	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.1370	0.011	2	111.1370	0.000	2	111.1182	0.003	6	111.2009	0.026	8	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	109.4640	0.687	2	109.4640	0.472	2	109.4640	0.472	2	110.5788	0.350	12	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.5790	0.110	2	110.5790	0.012	2	110.5790	0.012	2	110.5788	0.350	12	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.7880	0.141	4	110.7880	0.020	4	110.7880	0.020	4	110.5788	0.350	12	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH){1|C<2>,1|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	110.7295	0.035	2	110.7295	0.001	2	110.9270	0.052	4	110.5788	0.350	12	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2{2|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]HH){1|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	111.1245	0.016	2	111.1245	0.000	2	110.9270	0.052	4	110.5788	0.350	12	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	5:4:4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	P[5,5]-5:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2	N[5,5](P[5,5]C[6a]O[5]2P)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2{1|O<2>,1|P<3>,2|C<3>,2|H<1>}	N[5,5](P[5,5]C[6a]O[5]2P)(C[5]C[5]HH)2{2|C<3>,2|O<1>}	H(C[5]N[5,5]C[5]H)	110.5703	0.255	9	110.5703	0.065	9	110.5703	0.065	9	110.5703	0.065	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:1:1:	6:4:4:	4:	C[5,6]-3:N[5,5]-3:H-1:H-1:	Ga[5x5]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,6]N[5,5]H)	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2{1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,6]N[5,5]H)	109.7970	0.017	2	109.7970	0.000	2	109.7970	0.000	2	109.7970	0.000	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,5]C[6a]N[5])	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.9955	0.079	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]O[5])	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	108.9955	0.079	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	H(C[5]N[5,5]C[6a]O[5])	108.4320	0.000	1	112.3785	31.150	2	112.3785	31.150	2	109.1914	6.319	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	116.3250	0.000	1	112.3785	31.150	2	112.3785	31.150	2	109.1914	6.319	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]N[5,5]C[6a]S[5])	108.3638	0.130	5	108.4447	0.053	6	108.3946	0.046	8	109.1914	6.319	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,5]C[6a]S[5])	108.8490	0.000	1	108.4447	0.053	6	108.3946	0.046	8	109.1914	6.319	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5]N[5,5]C[6a]S[5])	108.2690	0.000	1	108.2690	0.000	1	108.3946	0.046	8	109.1914	6.319	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:2:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]S[5])	108.2200	0.000	1	108.2200	0.000	1	108.3946	0.046	8	109.1914	6.319	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	3:4:4:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]N[5])	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.7920	0.000	1	109.7920	0.000	1	109.8983	0.050	4	109.8983	0.050	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.6500	0.000	1	109.9337	0.068	3	109.8983	0.050	4	109.8983	0.050	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	110.0755	0.122	2	109.9337	0.068	3	109.8983	0.050	4	109.8983	0.050	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	H(C[5]N[5,5]C[6a]C[5])	114.0390	0.000	1	112.1715	6.975	2	112.1715	6.975	2	111.2653	5.951	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	110.3040	0.000	1	112.1715	6.975	2	112.1715	6.975	2	111.2653	5.951	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,5]C[6a]N[5])	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	111.2653	5.951	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:C-3:H-1:	C[5,5,6]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(S[5]C[5]OO)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(S[5]C[5]OO){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.9097	1.349	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.5650	0.068	2	107.7458	0.046	4	107.7458	0.046	4	108.9097	1.349	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.9265	0.054	2	107.7458	0.046	4	107.7458	0.046	4	108.9097	1.349	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:3:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]N[5])	109.9338	0.529	5	109.9338	0.280	5	109.9338	0.280	5	108.9097	1.349	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	3:4:4:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	H(C[5]C[5,6a]N[5,5]C)	109.9605	0.274	2	109.9605	0.075	2	109.9605	0.075	2	109.9605	0.075	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H)	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H){1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<1>,4|C<3>}	H(C[5]N[5,5]C[5]C)	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|O<1>,2|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]C)	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.1620	0.630	3	109.1620	0.398	3	109.1620	0.398	3	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.1317	2.561	3	108.1317	6.559	3	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.5190	0.062	2	109.4282	0.013	4	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,3|C<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.3375	0.043	2	109.4282	0.013	4	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]N[5,5]C[6a]C[5])	109.2860	0.000	1	109.2860	0.000	1	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|O<1>,2|H<1>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.8950	0.000	1	109.0270	0.035	2	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.1590	0.000	1	109.0270	0.035	2	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.6370	0.000	1	110.0560	0.132	3	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	110.2620	0.000	1	110.0560	0.132	3	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	110.2690	0.000	1	110.0560	0.132	3	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:3:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.4110	0.000	1	109.4110	0.000	1	109.2162	1.492	14	109.2408	1.141	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:2:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(O[5]C[5])	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(O[5]C[5]){4|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.0760	0.000	1	109.0760	0.000	1	108.8247	0.134	3	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.6990	0.416	2	108.6990	0.173	2	108.8247	0.134	3	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	107.5165	0.292	2	109.4134	2.668	7	109.4474	2.014	9	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){2|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.6890	0.000	1	109.4134	2.668	7	109.4474	2.014	9	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	110.4690	0.820	2	109.4134	2.668	7	109.4474	2.014	9	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	H(C[5]N[5,5]C[6a]C[5])	111.7130	0.000	1	109.4134	2.668	7	109.4474	2.014	9	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.5210	0.000	1	109.4134	2.668	7	109.4474	2.014	9	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.7490	0.000	1	109.5665	0.067	2	109.4474	2.014	9	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.3840	0.000	1	109.5665	0.067	2	109.4474	2.014	9	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:S[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	H(C[5]N[5,5]S[5]C)	108.3020	0.000	1	108.0010	0.181	2	108.0010	0.181	2	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:3:	4:	N[5,5]-3:S[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[5,5]S[5]C)	107.7000	0.000	1	108.0010	0.181	2	108.0010	0.181	2	109.1074	1.561	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){1|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5]C)	111.2400	0.000	1	110.4462	0.387	4	110.4462	0.387	4	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,5]C)	110.1817	0.401	3	110.4462	0.387	4	110.4462	0.387	4	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]C)	108.4690	0.000	1	108.4690	0.000	1	108.4555	0.000	2	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]C)	108.4420	0.000	1	108.4420	0.000	1	108.4555	0.000	2	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5a]C[5])	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H){1|Fe<10>,2|C<3>,3|C<4>,8|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.2310	0.740	2	109.2310	0.547	2	109.2310	0.547	2	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.1810	0.000	1	109.3120	0.034	2	109.3120	0.034	2	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.4430	0.000	1	109.3120	0.034	2	109.3120	0.034	2	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.1210	0.000	1	108.1210	0.000	1	106.6107	6.267	3	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.9900	0.000	1	107.9900	0.000	1	106.6107	6.267	3	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:3:4:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]N[5,5]C[6a]C[5])	103.7210	0.000	1	103.7210	0.000	1	106.6107	6.267	3	108.8919	3.117	14	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:P[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	110.8925	0.965	2	110.8925	0.932	2	110.8925	0.932	2	110.8925	0.932	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.3665	0.088	2	111.3665	0.008	2	111.3665	0.008	2	111.3665	0.008	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[3,5]N[5,5]H)	110.9520	0.020	4	110.9520	0.000	4	110.9520	0.000	4	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.1757	0.202	4	111.1757	0.041	4	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.6660	0.071	4	111.6660	0.005	4	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{4|H<1>}	H(C[5]N[5,5]C[5]H)	111.5023	0.108	4	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	H(C[5]N[5,5]C[5]H)	111.5106	0.108	5	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.7210	0.025	2	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	H(C[5]N[5,5]C[5]H)	111.6113	0.146	6	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.6410	0.013	2	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|Zn<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.2751	0.226	7	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{3|Zn<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.7915	0.005	2	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{2|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{3|Zn<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.9375	0.047	2	111.5446	0.054	30	111.5186	0.061	38	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.5470	0.000	1	110.5470	0.000	1	110.9788	0.055	9	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.3190	0.076	2	111.3190	0.006	2	110.9788	0.055	9	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	110.9373	0.029	6	110.9373	0.001	6	110.9788	0.055	9	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<2>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	110.7563	0.103	3	110.7563	0.011	3	110.7563	0.011	3	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	110.3175	0.012	2	110.3175	0.000	2	110.6937	0.189	4	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.0700	0.007	2	111.0700	0.000	2	110.6937	0.189	4	111.2994	0.156	58	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5,5]H)	108.9975	5.107	2	108.9975	26.086	2	108.9975	26.086	2	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	110.9275	0.009	2	110.9275	0.000	2	110.9275	0.000	2	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	110.9600	0.020	2	110.9600	0.000	2	110.8520	0.016	4	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.7440	0.028	2	110.7440	0.001	2	110.8520	0.016	4	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	110.6715	0.029	2	110.6715	0.001	2	111.0525	0.059	11	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.0480	0.000	1	111.0480	0.000	1	111.0525	0.059	11	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.1975	0.018	2	111.1644	0.002	5	111.0525	0.059	11	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.1423	0.033	3	111.1644	0.002	5	111.0525	0.059	11	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.9315	0.006	2	110.9315	0.000	2	111.0525	0.059	11	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	111.5020	0.000	1	111.5020	0.000	1	111.0525	0.059	11	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.3727	0.154	4	110.3727	0.024	4	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	110.4305	0.047	2	110.6846	0.135	14	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	110.7269	0.382	12	110.6846	0.135	14	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.3828	0.061	5	111.1070	0.146	20	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.3480	0.000	1	111.1070	0.146	20	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]N[5,5]C[5]H)	111.5630	0.051	2	111.1070	0.146	20	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.2353	0.008	3	111.1070	0.146	20	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.5060	0.016	5	111.1070	0.146	20	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.2205	0.019	2	111.1070	0.146	20	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.0375	0.032	2	111.1070	0.146	20	110.8741	0.194	38	110.8430	0.737	57	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:2:	4:	N[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5])	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5,5]H)	110.4360	0.091	7	110.4360	0.008	7	110.4360	0.008	7	110.0975	1.639	20	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,5])	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2{1|H<1>,1|S<2>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,5]){1|S<2>,2|H<1>,5|C<4>}	H(C[5]N[5,5]C[5]H)	110.2100	0.044	3	110.2100	0.002	3	110.2100	0.002	3	110.0975	1.639	20	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5])	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5]){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	107.6975	3.936	2	107.6975	15.496	2	109.8269	3.280	10	110.0975	1.639	20	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.3150	0.008	2	110.5415	0.798	4	109.8269	3.280	10	110.0975	1.639	20	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|S<4>,7|H<1>}	H(C[5]N[5,5]C[5]H)	109.7680	0.010	2	110.5415	0.798	4	109.8269	3.280	10	110.0975	1.639	20	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5])	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	110.1770	0.093	4	110.1770	0.009	4	109.8269	3.280	10	110.0975	1.639	20	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	108.5450	5.460	6	109.2828	17.690	10	109.5696	14.922	12	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.3895	0.811	4	109.2828	17.690	10	109.5696	14.922	12	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.0035	0.018	2	111.0035	0.000	2	109.5696	14.922	12	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.2395	0.040	2	111.2395	0.002	2	111.2395	0.002	2	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.2310	0.000	1	111.2310	0.000	1	111.0524	0.017	5	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.9275	0.025	2	110.9275	0.001	2	111.0524	0.017	5	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.0880	0.052	2	111.0880	0.003	2	111.0524	0.017	5	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.2910	0.000	1	111.2493	0.004	9	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,7|H<1>}	H(C[5]N[5,5]C[5]H)	111.2287	0.093	4	111.2493	0.004	9	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){2|Cl<1>,1|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.2595	0.010	4	111.2493	0.004	9	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	109.8655	4.065	2	109.8655	16.526	2	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]C)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]C){6|H<1>}	H(C[5]N[5,5]C[5]H)	111.2935	0.015	2	111.2935	0.000	2	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.0487	0.083	4	111.0487	0.007	4	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.1655	0.037	2	111.1447	0.002	3	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.1030	0.000	1	111.1447	0.002	3	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.8430	0.000	1	111.0173	0.023	3	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.1045	0.030	2	111.0173	0.023	3	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.3170	0.000	1	111.3170	0.000	1	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.1915	0.008	2	111.1915	0.000	2	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H){3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	110.8885	0.071	2	110.8885	0.005	2	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.2135	0.012	2	111.2135	0.000	2	111.0716	0.695	30	110.7086	4.272	49	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	108.6205	2.526	2	108.6205	6.383	2	108.6205	6.383	2	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO){1|O<1>,3|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.7970	1.566	2	111.1795	2.564	4	111.1795	2.564	4	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{2|O<1>,3|C<4>}	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO){1|O<2>,3|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.5620	2.158	2	111.1795	2.564	4	111.1795	2.564	4	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.8690	0.034	2	111.2714	0.062	8	111.0252	0.291	21	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.4055	0.017	6	111.2714	0.062	8	111.0252	0.291	21	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.2105	0.032	2	111.2105	0.001	2	111.0252	0.291	21	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.5005	0.062	2	110.9942	0.182	6	111.0252	0.291	21	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.2410	0.241	4	110.9942	0.182	6	111.0252	0.291	21	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.5405	0.052	2	111.5405	0.003	2	111.0252	0.291	21	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	109.9637	0.047	3	109.9637	0.002	3	111.0252	0.291	21	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	109.7659	1.762	11	109.7659	3.103	11	109.7659	3.103	11	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:S[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.9022	0.025	4	110.9137	0.001	6	110.9137	0.001	6	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:S[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<1>,3|C<4>}	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.9365	0.009	2	110.9137	0.001	6	110.9137	0.001	6	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.7903	0.122	4	110.7903	0.015	4	110.7903	0.015	4	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.8610	0.069	2	110.8610	0.005	2	110.8066	0.069	11	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.7946	0.292	9	110.7946	0.085	9	110.8066	0.069	11	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[3x5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	111.2450	0.007	2	111.2450	0.000	2	111.2450	0.000	2	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.4790	0.020	2	111.2824	0.024	8	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.1650	0.103	4	111.2824	0.024	8	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.3205	0.022	2	111.2824	0.024	8	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.1353	0.065	6	111.1353	0.004	6	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	112.7365	1.238	2	112.7365	1.533	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.9960	0.011	2	110.9960	0.000	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	111.5100	0.047	2	111.5100	0.002	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	111.1020	0.021	2	111.1020	0.000	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.5220	0.016	2	111.5220	0.000	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.9458	0.348	4	110.7157	1.846	7	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.3110	0.000	1	110.7157	1.846	7	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	109.9580	3.000	2	110.7157	1.846	7	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.2890	0.013	2	111.4240	0.014	6	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.4915	0.065	4	111.4240	0.014	6	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.4672	0.213	5	111.0545	0.138	22	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.4430	0.010	4	111.0545	0.138	22	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.8371	0.165	7	111.0545	0.138	22	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	110.7053	0.084	6	111.0545	0.138	22	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.9195	0.021	2	110.9195	0.000	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	109.9915	3.294	2	109.9915	10.853	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.9553	0.421	8	111.0547	0.182	10	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.4525	0.013	2	111.0547	0.182	10	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.1135	0.074	2	111.0254	0.025	8	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.8893	0.025	4	111.0254	0.025	8	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	111.2095	0.093	2	111.0254	0.025	8	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.9640	0.397	5	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,3|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.9270	0.146	4	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.9479	0.297	20	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|N<3>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.1116	0.173	8	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,4|C<3>,7|H<1>}	H(C[5]N[5,5]C[5]H)	110.6645	0.012	2	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.8310	0.055	2	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.3300	0.233	4	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.8703	0.125	3	110.9021	0.098	48	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.1800	0.383	4	111.1429	0.080	11	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.2200	0.142	4	111.1429	0.080	11	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,4|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.9907	0.313	3	111.1429	0.080	11	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.7335	0.012	2	110.7335	0.000	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.7040	0.008	2	111.7040	0.000	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.3560	0.157	2	111.3560	0.025	2	111.0520	0.326	146	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.2334	0.145	5	111.2334	0.021	5	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.7090	0.000	1	110.7090	0.000	1	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.2840	0.014	2	110.2752	0.005	6	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.2707	0.088	4	110.2752	0.005	6	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	110.5541	0.254	7	110.5541	0.064	7	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH){1|O<1>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.2600	0.024	2	110.2600	0.001	2	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){3|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.0781	0.938	8	110.2426	0.625	12	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.4455	0.008	2	110.2426	0.625	12	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|O<2>,7|H<1>}	H(C[5]N[5,5]C[5]H)	110.6975	0.036	2	110.2426	0.625	12	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|O<1>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.2420	0.044	2	111.2420	0.002	2	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.6765	0.186	4	110.6765	0.035	4	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.9985	0.025	2	110.9985	0.001	2	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.3630	0.027	2	110.3630	0.001	2	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,4|O<2>}	H(C[5]N[5,5]C[5]H)	110.7330	1.816	2	110.7330	3.297	2	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.4980	0.065	2	111.4980	0.004	2	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.2380	0.007	2	111.2380	0.000	2	110.6263	0.394	49	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:P[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]CO)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]CO){1|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.0105	0.040	2	111.0105	0.002	2	110.5247	0.317	4	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:P[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]NN)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,2|N<3>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]NN){1|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.0390	0.083	2	110.0390	0.007	2	110.5247	0.317	4	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.3035	0.015	2	111.3035	0.000	2	111.1347	0.163	8	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.0810	0.052	2	111.0810	0.003	2	111.1347	0.163	8	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	111.0772	0.595	4	111.0772	0.354	4	111.1347	0.163	8	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH){2|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.5833	0.409	6	111.5833	0.167	6	110.8185	0.178	42	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]CuN)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Cu<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]CuN)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.4990	0.059	4	110.4990	0.003	4	110.8185	0.178	42	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]NiO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,2|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]NiO)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.4125	0.023	2	110.4125	0.001	2	110.8185	0.178	42	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdC)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdC)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.7490	0.247	11	110.7490	0.061	11	110.8185	0.178	42	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,2|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdO)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.6310	0.180	15	110.6310	0.033	15	110.8185	0.178	42	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]RhN)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Rh<5>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(P[5]O[5]RhN)(C[5]C[5]HH){1|O<1>,4|H<1>}	H(C[5]N[5,5]C[5]H)	111.0880	0.295	4	111.0880	0.087	4	110.8185	0.178	42	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	110.8010	0.100	4	110.8010	0.010	4	110.8010	0.010	4	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.0155	0.008	2	109.9232	8.589	9	109.9232	8.589	9	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.9162	0.055	5	109.9232	8.589	9	109.9232	8.589	9	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|S<4>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	106.3485	5.986	2	109.9232	8.589	9	109.9232	8.589	9	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	109.9210	0.054	2	109.9210	0.003	2	110.9653	0.866	12	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.7470	0.017	2	110.7470	0.000	2	110.9653	0.866	12	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.3790	0.049	2	110.8380	0.282	4	110.9653	0.866	12	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	111.2970	0.004	2	110.8380	0.282	4	110.9653	0.866	12	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	112.5095	1.249	2	112.5095	1.561	2	110.9653	0.866	12	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	110.9385	0.042	2	110.9385	0.002	2	110.9653	0.866	12	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](P[5]C[6a]N[5]B)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5,5](P[5]C[6a]N[5]B)(C[5,5]C[5]2H)(C[5]C[5]HH){3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.8745	0.035	2	110.8745	0.001	2	110.8004	0.025	14	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](P[5]C[6a]N[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5,5](P[5]C[6a]N[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH){3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]H)	110.8413	0.233	4	110.8413	0.054	4	110.8004	0.025	14	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](P[5]C[6a]O[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5,5](P[5]C[6a]O[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	110.7614	0.136	8	110.7614	0.019	8	110.8004	0.025	14	110.8483	0.711	349	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:1:1:	6:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	Ga[5x5]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,2|O<2>,3|H<1>}	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH){1|C<4>,3|H<1>,6|C<3>}	H(C[5]N[5,5]C[5]H)	110.1340	0.017	2	110.1340	0.000	2	110.1340	0.000	2	110.1340	0.000	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	H(C[5]C[5,5]N[5,5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5,5]C)	109.8760	0.000	1	110.3373	0.219	3	110.3373	0.219	3	109.9290	0.550	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	H(C[5]C[5,5]N[5,5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5,5]C)	110.5680	0.345	2	110.3373	0.219	3	110.3373	0.219	3	109.9290	0.550	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,8|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	109.9290	0.550	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]C)	110.3645	0.033	2	110.3645	0.001	2	110.2727	0.026	3	109.9290	0.550	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|S<2>,2|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]C)	110.0890	0.000	1	110.0890	0.000	1	110.2727	0.026	3	109.9290	0.550	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	H(C[5]N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	H(C[5]N[5,5]C[5]N[5])	109.8380	0.000	1	109.6385	0.080	2	109.6385	0.080	2	109.9290	0.550	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	H(C[5]N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	H(C[5]N[5,5]C[5]N[5])	109.4390	0.000	1	109.6385	0.080	2	109.6385	0.080	2	109.9290	0.550	9	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:3:4:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2500	0.414	4	108.1256	0.206	5	108.1256	0.206	5	108.1256	0.206	5	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:3:4:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,5|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.6280	0.000	1	108.1256	0.206	5	108.1256	0.206	5	108.1256	0.206	5	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:2:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H)	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CH)(O[5]C[5])	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H){5|C<4>}	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CH)(O[5]C[5]){4|C<4>,7|H<1>}	H(C[5]N[5,5]C[5]C)	108.5280	0.069	2	108.5280	0.005	2	108.5280	0.005	2	108.5280	0.005	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]C)	109.3235	0.241	2	109.3235	0.058	2	109.8253	0.785	3	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H)	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,3|C<4>}	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,5]C[5]C)	110.8290	0.000	1	110.8290	0.000	1	109.8253	0.785	3	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<2>,7|H<1>}	H(C[5]N[5,5]C[5]C)	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|S<2>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]C)	110.5850	0.000	1	110.5850	0.000	1	111.0130	4.948	5	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|I<1>,1|N<3>,6|H<1>}	H(C[5]N[5,5]C[5]C)	109.3830	0.552	2	109.9090	0.982	3	111.0130	4.948	5	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	H(C[5]N[5,5]C[5]C)	110.9610	0.000	1	109.9090	0.982	3	111.0130	4.948	5	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]C)	114.7530	0.000	1	114.7530	0.000	1	111.0130	4.948	5	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){2|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	110.7554	4.117	10	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.8000	0.000	1	108.2435	0.619	2	108.2435	0.619	2	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.6870	0.000	1	108.2435	0.619	2	108.2435	0.619	2	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,6|H<1>}	H(C[5]N[5,5]C[5]C)	108.7580	0.000	1	108.7580	0.000	1	110.1950	0.918	4	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<2>,4|H<1>}	H(C[5]N[5,5]C[5]C)	110.6860	0.000	1	110.6860	0.000	1	110.1950	0.918	4	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]C)	110.6860	0.000	1	110.6680	0.001	2	110.1950	0.918	4	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	110.6500	0.000	1	110.6680	0.001	2	110.1950	0.918	4	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.8070	0.000	1	107.8070	0.000	1	108.2797	0.656	3	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH){3|C<3>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.5160	0.989	2	108.5160	0.977	2	108.2797	0.656	3	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:N[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH)	H(C[5]N[5,5]N[6a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]N[5,5]N[6a]C[5])	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:3:1:	4:4:4:	4:	N[5,5]-3:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[6a]N[5]H)2(C[5,5]C[5]2C)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	N[5,5](C[5]C[6a]N[5]H)2(C[5,5]C[5]2C){1|Cu<5>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]N[5])	108.2070	0.298	2	108.2070	0.089	2	108.2070	0.089	2	108.9615	1.265	13	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H){1|C<3>,2|H<1>,3|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]C)	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	108.5175	0.071	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	3:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H)	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]C)	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.5175	0.071	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]C)	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	109.3720	0.555	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H){1|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]N[5,5]C[5]C)	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.3720	0.555	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]C)	108.6620	0.000	1	108.6620	0.000	1	108.7710	0.024	2	109.3720	0.555	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:3:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]C)	108.8800	0.000	1	108.8800	0.000	1	108.7710	0.024	2	109.3720	0.555	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	H(C[5]N[5,5]C[5]C)	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	108.4735	1.160	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	H(C[5]N[5,5]S[5]C)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|C<3>,2|O<1>,5|H<1>}	H(C[5]N[5,5]S[5]C)	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	108.4735	1.160	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2{2|S<2>,3|H<1>,3|O<2>}	H(C[5]N[5,5]C[5]C)	108.5030	0.331	2	108.5030	0.110	2	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H){1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	H(C[5]N[5,5]C[5]C)	109.5810	0.000	1	109.5810	0.000	1	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{8|H<1>}	H(C[5]N[5,5]C[5]C)	109.9730	0.717	2	109.9730	0.514	2	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|O<2>,7|H<1>}	H(C[5]N[5,5]C[5]C)	109.3380	0.000	1	109.3380	0.000	1	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{4|H<1>,4|O<2>}	H(C[5]N[5,5]C[5]C)	107.9690	0.000	1	107.9690	0.000	1	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]C)	109.7010	0.000	1	109.7010	0.000	1	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH){4|H<1>,4|O<2>}	H(C[5]N[5,5]C[5]C)	111.1680	0.000	1	111.1680	0.000	1	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2{2|S<2>,3|H<1>,3|O<2>}	H(C[5]N[5,5]C[5]C)	108.6350	0.240	2	108.6350	0.058	2	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){3|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]C)	106.2553	0.340	4	107.2570	5.104	5	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,4|O<2>}	H(C[5]N[5,5]C[5]C)	111.2640	0.000	1	107.2570	5.104	5	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{4|H<1>,4|O<2>}	H(C[5]N[5,5]C[5]C)	108.2560	0.000	1	108.2560	0.000	1	108.6188	2.733	17	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H)	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<1>}	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH){2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]C)	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	3:4:4:1:	4:4:4:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]N[5,5]C[5]C)	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	108.7081	2.525	19	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2{1|O<1>,3|H<1>,4|C<4>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH){4|C<4>,4|H<1>}	H(C[5]C[5,5]N[5,5]H)	111.0245	0.026	2	111.0245	0.001	2	111.0245	0.001	2	111.0245	0.001	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O){1|C<4>,1|S<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]N[5,5]H)	111.3375	0.035	2	111.3375	0.001	2	111.3375	0.001	2	111.3375	0.001	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	H(C[5]C[3,5]N[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2{3|C<4>,3|H<1>}	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	H(C[5]C[3,5]N[5,5]H)	110.9435	1.300	2	110.9435	1.691	2	110.9435	1.691	2	110.9435	1.691	2	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	H(C[5]C[5,6]N[5,5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5,5]C)	109.1090	0.003	2	109.1090	0.000	2	109.2303	0.044	3	109.2303	0.044	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	H(C[5]C[5,6]N[5,5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5,5]C)	109.4730	0.000	1	109.4730	0.000	1	109.2303	0.044	3	109.2303	0.044	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5]C[5,5]N[5,5]C)	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	108.4950	0.000	1	108.8050	0.192	2	108.7133	0.226	4	108.7133	0.226	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	109.1150	0.000	1	108.8050	0.192	2	108.7133	0.226	4	108.7133	0.226	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.6215	0.672	2	108.6215	0.452	2	108.7133	0.226	4	108.7133	0.226	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,1|S<3>,2|C<4>}	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	H(C[5]C[5,5]N[5,5]C)	114.7450	0.000	1	114.7450	0.000	1	114.7450	0.000	1	110.5317	13.370	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5]-4:N[5,5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[5]C[5,5]N[5,5]C)	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	110.5317	13.370	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:3:	4:	C[5,6,6]-4:N[5,5]-3:C-3:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H)	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(C[5]C[5]O)	H(C[5]C[5,6,6]N[5,5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]N[5,5]C)	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	110.5317	13.370	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]C[5,5]N[5,5]C)	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){4|H<1>,8|C<3>}	H(C[5]C[5,5]N[5,5]C[5a])	106.9700	2.373	2	106.9700	5.631	2	106.7328	4.031	5	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){2|O<2>,4|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C[5a])	107.1590	2.874	2	107.1590	8.258	2	106.7328	4.031	5	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C)	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C){1|S<2>,4|H<1>,7|C<3>}	H(C[5]C[5,5]N[5,5]C[5a])	105.4060	0.000	1	105.4060	0.000	1	106.7328	4.031	5	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	109.0280	0.000	1	108.5363	0.386	3	108.5363	0.386	3	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	107.8380	0.000	1	108.5363	0.386	3	108.5363	0.386	3	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	108.7430	0.000	1	108.5363	0.386	3	108.5363	0.386	3	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.8330	0.000	1	107.8330	0.000	1	108.0535	0.097	2	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2740	0.000	1	108.2740	0.000	1	108.0535	0.097	2	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C){1|S<2>,4|H<1>,7|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH)	H(C[5]C[5,6]N[5,5]C[6a])	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH){4|C<3>,4|H<1>}	H(C[5]C[5,6]N[5,5]C[6a])	108.4410	0.414	2	108.4410	0.172	2	108.4410	0.172	2	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.8195	0.383	4	108.8195	0.147	4	108.8195	0.147	4	108.1698	2.097	18	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:4:1:	4:4:2:	4:	C[4,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6])	H(C[5]C[4,5]N[5,5]C)	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[4,5]N[5,5]C)	110.5550	0.047	2	110.5550	0.002	2	110.5550	0.002	2	110.1497	0.494	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:4:1:	4:4:2:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H)	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5])	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5,5]C)	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	110.1497	0.494	3	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]O[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]O[5]O){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]N[5,5]C)	111.1875	0.021	2	111.1875	0.000	2	110.6550	0.851	3	110.3780	0.874	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O){2|O<2>,6|H<1>}	H(C[5]C[5,5]N[5,5]C)	109.5900	0.000	1	109.5900	0.000	1	110.6550	0.851	3	110.3780	0.874	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]N[5,5]C)	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	110.3780	0.874	4	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH){4|H<1>,4|O<2>}	H(C[5]C[5,5]N[5,5]C)	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	110.4058	1.808	872	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6,6]-3:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH)	H(C[5]N[5,6,6]C[5,6]H)	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2{5|C<4>,5|H<1>}	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH){5|H<1>,6|C<4>}	H(C[5]N[5,6,6]C[5,6]H)	109.9725	0.169	2	109.9725	0.029	2	109.9725	0.029	2	110.6368	0.271	6	110.6368	0.271	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]N[5,6,6]C[5]H)	110.9910	0.013	2	110.9910	0.000	2	110.9690	0.001	4	110.6368	0.271	6	110.6368	0.271	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]N[5,6,6]C[5]H)	110.9470	0.041	2	110.9470	0.002	2	110.9690	0.001	4	110.6368	0.271	6	110.6368	0.271	6	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	H(C[5]N[5,6]O[5]H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[5,6]O[5]H)	110.6410	0.078	3	110.6410	0.006	3	110.6410	0.006	3	110.6738	0.005	5	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:S[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH)	H(C[5]N[5,6]S[5]H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[5,6]S[5]H)	110.7230	0.004	2	110.7230	0.000	2	110.7230	0.000	2	110.6738	0.005	5	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:2:4:1:	4:3:4:	4:	N[5,6]-3:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH)	H(C[5]N[5,6]O[5]C)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]N[5,6]O[5]C)	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.7575	0.018	2	110.7575	0.000	2	110.7575	0.000	2	110.8675	0.139	4	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.9775	0.606	2	110.9775	0.367	2	110.9775	0.367	2	110.8675	0.139	4	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5,6]H)	112.1070	0.618	2	112.1070	0.382	2	112.1070	0.382	2	111.2381	0.286	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9288	0.033	5	110.9288	0.001	5	110.9288	0.001	5	111.2381	0.286	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.7993	0.432	3	110.7993	0.187	3	110.7993	0.187	3	111.2381	0.286	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(S[6]O[6]OO){1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.5973	0.058	3	111.5973	0.003	3	111.5192	0.027	4	111.2381	0.286	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|O<1>,2|O<2>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(S[6]O[6]OO){1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.2850	0.000	1	111.2850	0.000	1	111.5192	0.027	4	111.2381	0.286	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:1:1:	6:4:4:	4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	Ga[5,5,6,6]-6:S[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(S[6]C[6,6a]OO)(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(S[6]C[6,6a]OO)(C[5]C[5,6]HH){1|C<4>,1|S<4>,7|C<3>}	H(C[5]C[5,6]N[5,6]H)	109.8967	0.129	4	109.8967	0.017	4	109.8967	0.017	4	109.8967	0.017	4	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:2:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH)	H(C[5]N[5,6]C[6a]O[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[6a]O[5])	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,7|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.9860	0.000	1	109.9860	0.000	1	109.3605	0.783	2	109.5407	0.489	3	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.7350	0.000	1	108.7350	0.000	1	109.3605	0.783	2	109.5407	0.489	3	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[6a]N[5])	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	109.5407	0.489	3	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	109.8555	0.567	4	109.8555	0.322	4	109.4505	0.476	11	109.3874	0.299	20	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	109.6495	0.654	2	109.0585	0.640	4	109.4505	0.476	11	109.3874	0.299	20	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	108.4675	0.306	2	109.0585	0.640	4	109.4505	0.476	11	109.3874	0.299	20	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[5a]C[5])	109.7410	0.177	2	109.4330	0.300	3	109.4505	0.476	11	109.3874	0.299	20	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[5a]C[5])	108.8170	0.000	1	109.4330	0.300	3	109.4505	0.476	11	109.3874	0.299	20	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.3510	0.382	6	109.3104	0.103	9	109.3104	0.103	9	109.3874	0.299	20	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.2293	0.181	3	109.3104	0.103	9	109.3104	0.103	9	109.3874	0.299	20	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	108.3287	0.690	8	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.5380	0.000	1	108.5380	0.000	1	108.4810	0.006	2	108.3287	0.690	8	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.4240	0.000	1	108.4240	0.000	1	108.4810	0.006	2	108.3287	0.690	8	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.0730	0.000	1	107.8533	0.739	4	108.1954	1.140	5	108.3287	0.690	8	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	107.3475	0.418	2	107.8533	0.739	4	108.1954	1.140	5	108.3287	0.690	8	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	H(C[5]N[5,6]C[6a]C[5])	107.6450	0.000	1	107.8533	0.739	4	108.1954	1.140	5	108.3287	0.690	8	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.5640	0.000	1	109.5640	0.000	1	108.1954	1.140	5	108.3287	0.690	8	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	H(C[5]C[5,6a]N[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){4|C<3>}	H(C[5]C[5,6a]N[5,6]C)	110.4000	0.616	4	110.4000	0.380	4	110.4000	0.380	4	110.2381	0.478	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO){1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6]C[5]C)	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	110.2381	0.478	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]N[5,6]C[6a]C[5])	110.9910	0.000	1	110.9910	0.000	1	110.1645	1.366	2	110.2381	0.478	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.3380	0.000	1	109.3380	0.000	1	110.1645	1.366	2	110.2381	0.478	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.6780	0.013	2	110.6780	0.000	2	110.6780	0.000	2	110.6780	0.000	2	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<2>,4|C<4>}	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	110.9248	0.597	16	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]N[5,6]C[5]H)	109.2745	1.307	2	109.2745	1.709	2	109.2745	1.709	2	110.9248	0.597	16	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<2>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.3060	0.035	2	111.3060	0.001	2	111.3060	0.001	2	110.9248	0.597	16	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.1770	0.028	2	111.1770	0.001	2	111.1478	0.096	11	110.9248	0.597	16	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.9960	0.006	4	110.9960	0.000	4	111.1478	0.096	11	110.9248	0.597	16	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9517	0.059	3	110.9517	0.003	3	111.1478	0.096	11	110.9248	0.597	16	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.7165	0.309	2	111.7165	0.095	2	111.1478	0.096	11	110.9248	0.597	16	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2395	0.026	2	111.2395	0.001	2	111.2395	0.001	2	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2{1|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]H)	110.9155	0.043	2	110.9155	0.002	2	110.9155	0.002	2	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.1270	0.010	2	111.1270	0.000	2	111.2193	0.012	6	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]H)	111.3605	0.006	2	111.3605	0.000	2	111.2193	0.012	6	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.1705	0.022	2	111.1705	0.000	2	111.2193	0.012	6	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|C<2>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.5290	0.000	1	111.5290	0.000	1	111.3057	0.038	3	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.1940	0.023	2	111.1940	0.001	2	111.3057	0.038	3	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.9205	0.015	2	110.2919	1.054	7	110.4657	0.909	9	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.0404	1.142	5	110.2919	1.054	7	110.4657	0.909	9	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0740	0.034	2	111.0740	0.001	2	110.4657	0.909	9	110.8970	0.498	22	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2{1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.5300	0.007	2	111.5300	0.000	2	111.5300	0.000	2	110.5813	1.328	10	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.2650	0.035	2	111.2650	0.001	2	111.2650	0.001	2	110.5813	1.328	10	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.6175	0.019	2	110.6175	0.000	2	110.6175	0.000	2	110.5813	1.328	10	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0110	0.037	2	111.0110	0.001	2	109.7470	2.142	4	110.5813	1.328	10	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	108.4830	0.181	2	108.4830	0.033	2	109.7470	2.142	4	110.5813	1.328	10	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5]C[5,5]N[5,6]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,5]N[5,6]H)	110.7070	0.031	2	110.7070	0.001	2	110.7070	0.001	2	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5,6]N[5,6]H)	110.2040	0.010	2	110.2040	0.000	2	110.3957	0.049	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]N[5,6]H)	110.5875	0.015	2	110.5875	0.000	2	110.3957	0.049	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,2|O<1>,3|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5,6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5,6]H)	110.7895	0.009	2	110.7895	0.000	2	110.7895	0.000	2	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:Br-1:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H)	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]BrH)	H(C[5]N[5,6]C[5]Br)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H){2|C<3>,2|O<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]BrH){1|Br<1>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]Br)	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.1917	0.036	4	111.1917	0.001	4	111.1917	0.001	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.8150	0.651	2	110.8150	0.423	2	110.8150	0.423	2	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	109.4910	1.755	2	109.4910	3.080	2	110.6783	1.693	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.8095	0.012	2	111.2720	0.386	4	110.6783	1.693	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.7345	0.036	2	111.2720	0.386	4	110.6783	1.693	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.6012	0.144	4	111.6012	0.021	4	111.6012	0.021	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){2|C<3>,3|H<1>,6|C<4>}	H(C[5]N[5,6]C[5]H)	111.1970	0.012	4	111.1970	0.000	4	111.1812	0.001	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	H(C[5]N[5,6]C[5]H)	111.1495	0.032	2	111.1495	0.001	2	111.1812	0.001	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.9385	0.012	2	110.9385	0.000	2	111.3498	0.226	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.7610	0.023	2	111.7610	0.001	2	111.3498	0.226	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	111.7418	0.118	10	111.7418	0.014	10	111.7418	0.014	10	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.6235	0.005	2	110.6235	0.000	2	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.6315	0.042	4	111.4049	0.149	12	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.8905	0.051	4	111.4049	0.149	12	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.6928	0.098	4	111.4049	0.149	12	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.3440	0.034	2	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|I<1>,3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	111.2040	0.119	4	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.4780	0.027	2	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	109.6825	1.900	2	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.5443	0.859	9	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	111.0830	0.031	3	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.6385	0.029	2	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.6102	0.049	5	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.7175	0.005	2	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.5540	0.023	2	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.4165	0.009	2	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.4333	1.227	17	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.7652	0.162	6	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.7954	0.068	8	110.6969	0.661	66	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.8125	0.103	2	110.8125	0.011	2	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	107.2445	2.152	2	107.2445	4.630	2	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.4635	0.018	2	110.4635	0.000	2	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	110.1120	0.000	1	110.1360	0.004	3	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){3|H<1>,6|C<4>}	H(C[5]N[5,6]C[5]H)	110.1480	0.089	2	110.1360	0.004	3	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	110.0840	0.037	2	110.0840	0.001	2	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.0850	0.000	1	111.2591	0.733	9	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	111.4059	0.785	8	111.2591	0.733	9	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.3880	0.038	4	110.3880	0.001	4	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.7518	0.071	4	110.7518	0.005	4	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.5005	0.009	2	110.5005	0.000	2	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.7195	0.026	2	110.6710	0.004	4	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.6225	0.037	2	110.6710	0.004	4	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.8465	0.364	4	110.8465	0.133	4	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0577	0.485	3	111.2261	0.113	8	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.1723	0.046	3	111.2261	0.113	8	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.5595	0.029	2	111.2261	0.113	8	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.3540	0.007	2	111.3540	0.000	2	110.7594	0.741	128	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[5]N[5,6]C[5]H)	111.7275	0.067	4	111.7275	0.005	4	111.1646	0.375	18	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.6960	0.000	1	111.5155	0.168	6	111.1646	0.375	18	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.6794	0.093	5	111.5155	0.168	6	111.1646	0.375	18	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.0545	0.011	2	110.0545	0.000	2	111.1646	0.375	18	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.6855	0.006	2	110.8083	0.059	6	111.1646	0.375	18	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.6210	0.025	2	110.8083	0.059	6	111.1646	0.375	18	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.1185	0.035	2	110.8083	0.059	6	111.1646	0.375	18	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.1258	0.050	6	111.0908	0.014	28	111.0908	0.014	28	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0812	0.130	22	111.0908	0.014	28	111.0908	0.014	28	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<4>,2|S<2>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,2|S<2>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.3430	1.358	2	110.3430	1.843	2	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.3455	0.019	2	111.3455	0.000	2	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.7025	0.747	2	110.7025	0.559	2	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[5]N[5,6]C[5]H)	109.4980	0.963	2	110.6813	0.302	15	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.8757	0.082	10	110.6813	0.302	15	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	110.8180	0.028	2	110.6813	0.302	15	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.8310	0.000	1	110.6813	0.302	15	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|O<2>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2515	0.747	2	111.2515	0.559	2	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|S<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.3145	0.009	2	111.3145	0.000	2	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.6667	0.112	4	110.6667	0.013	4	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<4>,5|H<1>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.1103	0.200	12	111.1103	0.040	12	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.5270	0.891	2	111.5270	0.794	2	110.9111	0.295	43	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(S[6]N[6]OO)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(S[6]N[6]OO){1|C<4>,7|H<1>}	H(C[5]N[5,6]C[5]H)	110.9835	0.019	2	110.9835	0.000	2	110.9835	0.000	2	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.7963	0.158	8	110.7963	0.025	8	111.1732	1.355	23	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.1985	0.031	4	111.1985	0.001	4	111.1732	1.355	23	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.0395	0.045	2	111.0395	0.002	2	111.1732	1.355	23	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	113.1370	4.484	2	113.1370	20.110	2	111.1732	1.355	23	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0937	0.323	6	111.0937	0.104	6	111.1732	1.355	23	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.9050	0.000	1	110.9050	0.000	1	111.1732	1.355	23	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[5a,6]OO)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[5a,6]OO)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.7694	0.053	7	110.7694	0.003	7	110.9492	0.059	13	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.3995	0.040	2	111.3995	0.002	2	110.9492	0.059	13	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	111.0387	0.082	4	111.0387	0.007	4	110.9492	0.059	13	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5]N[5,6]C[5]H)	111.0960	0.027	2	111.1115	0.001	4	111.1115	0.001	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	H(C[5]N[5,6]C[5]H)	111.1270	0.014	2	111.1115	0.001	4	111.1115	0.001	4	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]N[5,6]C[5]H)	111.0955	0.009	2	111.0955	0.000	2	111.1520	0.006	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]H)	111.1130	0.021	2	111.1130	0.000	2	111.1520	0.006	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	111.2475	0.029	2	111.2475	0.001	2	111.1520	0.006	6	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.4780	0.042	2	110.4780	0.002	2	110.4780	0.002	2	110.9320	0.584	312	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:1:1:	6:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	In[5,5,6,6]-6:P[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2	N[5,6](In[5,5,6,6]N[5,6]O[5]2O[6]2)(P[6]C[6,6a]C[6a]C)(C[5]C[5]HH)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|O<2>}	N[5,6](In[5,5,6,6]N[5,6]O[5]2O[6]2)(P[6]C[6,6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]H)	109.6100	0.108	3	109.6100	0.012	3	109.6100	0.012	3	109.6100	0.012	3	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:2:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:O-2:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)	H(C[5]N[5,6]C[5]O)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO){3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]O)	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:P[5]-4:O-2:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	H(C[5]N[5,6]P[5]O)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H){1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]P[5]O)	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:2:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H){1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[5]N[5,6]C[5]C)	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]C)	108.9540	0.000	1	108.9540	0.000	1	109.1267	1.203	7	109.1267	1.203	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.1060	1.172	4	109.1555	1.437	6	109.1267	1.203	7	109.1267	1.203	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]C)	109.2545	1.743	2	109.1555	1.437	6	109.1267	1.203	7	109.1267	1.203	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.2047	0.360	9	109.1915	0.157	11	109.2121	0.130	15	109.2121	0.130	15	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.6220	0.000	1	109.1915	0.157	11	109.2121	0.130	15	109.2121	0.130	15	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.6430	0.000	1	109.1915	0.157	11	109.2121	0.130	15	109.2121	0.130	15	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.2197	0.324	3	109.2687	0.080	4	109.2121	0.130	15	109.2121	0.130	15	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.4160	0.000	1	109.2687	0.080	4	109.2121	0.130	15	109.2121	0.130	15	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH){1|S<2>,2|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]C)	110.0860	0.000	1	110.0860	0.000	1	109.8845	0.081	2	109.8845	0.081	2	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	3:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]C)	109.6830	0.000	1	109.6830	0.000	1	109.8845	0.081	2	109.8845	0.081	2	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H){1|C<4>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH){1|O<1>,1|S<1>,2|H<1>,2|N<3>,6|C<3>}	H(C[5]N[5,6]C[5]C)	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	109.2287	0.578	3	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:P[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	H(C[5]N[5,6]C[6a]P[5])	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	H(C[5]N[5,6]C[6a]P[5])	108.7900	0.025	2	108.7900	0.001	2	108.7900	0.001	2	109.2287	0.578	3	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]C)	109.6150	0.000	2	109.6150	0.000	2	109.7753	0.077	3	109.5395	0.274	4	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|S<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]C)	110.0960	0.000	1	110.0960	0.000	1	109.7753	0.077	3	109.5395	0.274	4	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-4:C[5,6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	109.5395	0.274	4	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	108.5810	0.000	1	108.5810	0.000	1	109.7340	1.079	3	109.6373	1.037	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH){1|S<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	110.5970	0.000	1	110.5970	0.000	1	109.7340	1.079	3	109.6373	1.037	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	110.0240	0.000	1	110.0240	0.000	1	109.7340	1.079	3	109.6373	1.037	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<2>,2|O<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO){2|C<2>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	110.7740	0.000	1	110.7740	0.000	1	110.5405	0.109	2	109.6373	1.037	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO){2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	110.3070	0.000	1	110.3070	0.000	1	110.5405	0.109	2	109.6373	1.037	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){1|Al<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]N[5,6]C[6a]N[5])	108.5890	0.314	2	108.5890	0.099	2	108.5890	0.099	2	109.6373	1.037	7	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	3:2:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	108.5880	0.000	1	108.5880	0.000	1	107.0255	4.883	2	107.0255	4.883	2	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,3|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]C)	105.4630	0.000	1	105.4630	0.000	1	107.0255	4.883	2	107.0255	4.883	2	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[4]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH)	H(C[5]N[5,6]C[4]C[5])	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H){1|C<4>,4|H<1>,6|C<3>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[4]C[5])	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH){3|C<4>,9|H<1>}	H(C[5]N[5,6]C[5]C)	106.3010	0.000	1	106.3010	0.000	1	107.9165	5.220	2	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]C)	109.5320	0.000	1	109.5320	0.000	1	107.9165	5.220	2	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[5]N[5,6]C[5]C)	108.7170	0.000	1	108.7170	0.000	1	109.5880	0.261	7	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|O<1>,6|H<1>}	H(C[5]N[5,6]C[5]C)	109.7790	0.435	4	109.7790	0.189	4	109.5880	0.261	7	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]C)	109.6415	0.293	2	109.6415	0.086	2	109.5880	0.261	7	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO){3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	109.1920	0.000	1	109.1920	0.000	1	109.5095	0.202	2	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|O<1>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO){1|S<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	109.8270	0.000	1	109.8270	0.000	1	109.5095	0.202	2	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]N[5,6]C[5]C)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H)	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|O<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	102.0840	0.000	1	102.0840	0.000	1	102.0840	0.000	1	108.5756	4.605	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]N[5,6]H)	110.2735	0.554	2	110.2735	0.307	2	110.2735	0.307	2	111.0802	0.396	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|N<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]N[5,6]H)	111.5775	0.023	2	111.5775	0.001	2	111.4218	0.033	4	111.0802	0.396	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]N[5,6]H)	111.2660	0.006	2	111.2660	0.000	2	111.4218	0.033	4	111.0802	0.396	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH)	H(C[5]C[5,6,6]N[5,6]H)	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]N[5,6]H)	110.4075	1.230	2	110.4075	1.512	2	110.4075	1.512	2	111.0802	0.396	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]N[5,6]H)	111.1320	0.006	2	111.1320	0.000	2	111.1320	0.000	2	111.0802	0.396	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2{1|O<2>,2|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH){1|O<2>,6|H<1>,7|C<4>}	H(C[5]C[5,6]N[5,6]H)	111.4525	0.032	4	111.4525	0.001	4	111.4525	0.001	4	111.0802	0.396	14	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]C)	109.1908	0.311	5	109.1908	0.097	5	109.1908	0.097	5	109.1908	0.097	5	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O)	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5]N[5,6]C[6a])	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H)	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	H(C[5]C[5,5]N[5,6]C[6a])	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.3660	0.209	2	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5,6]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	H(C[5]N[5,6]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	H(C[5]N[5,6]C[5]C)	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.3660	0.209	2	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5,6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)	H(C[5]C[5,5]N[5,6]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[5]C[5,5]N[5,6]C)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	110.5551	1.213	513	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:1:1:	4:4:3:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O){1|O<1>}	H(C[5]N[5]O[5]H)	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	110.6820	0.018	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:1:1:	4:4:3:	4:	N[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(H)2	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5]S[5]H)	110.6050	0.033	2	110.6050	0.001	2	110.6050	0.001	2	110.6820	0.018	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:1:1:	4:4:4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5]O[5]H)	110.4308	0.071	4	110.4308	0.005	4	110.4308	0.005	4	110.4799	0.126	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:1:1:	4:4:4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH){2|H<1>}	H(C[5]N[5]O[5]H)	110.7080	0.010	2	110.7080	0.000	2	110.4224	0.195	8	110.4799	0.126	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:1:1:	4:4:4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|C<3>,1|H<1>}	H(C[5]N[5]O[5]H)	110.0252	0.136	4	110.0252	0.019	4	110.4224	0.195	8	110.4799	0.126	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:1:1:	4:4:4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3){1|H<1>,3|C<3>}	H(C[5]N[5]O[5]H)	110.9310	0.016	2	110.9310	0.000	2	110.4224	0.195	8	110.4799	0.126	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:1:1:	4:4:4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]S)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]N[5]O[5]H)	110.8085	0.040	2	110.8085	0.002	2	110.8085	0.002	2	110.4799	0.126	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:3:1:	3:4:4:	4:	N[5]-3:N[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	H(C[5]C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H){1|Rh<6>,1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	H(C[5]C[5]N[5]2)	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	109.5365	0.013	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:3:1:	3:4:4:	4:	N[5]-3:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]N[5]S[5]C)	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.5365	0.013	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:3:1:	4:3:2:	4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H)	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H){1|O<1>,2|C<4>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC){2|C<4>}	H(C[5]N[5]O[5]C)	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:3:1:	4:4:4:	4:	C[6a]-3:S[5]-2:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H)	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3){2|C<4>,4|C<3>}	H(C[5]C[6a]N[5]S[5])	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	108.7453	0.320	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:3:1:	4:4:4:	4:	N[5]-3:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	H(C[5]N[5]O[5]C)	108.4210	0.095	2	108.4210	0.009	2	108.4210	0.009	2	108.7453	0.320	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:1:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H){1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5]O[5]C)	100.8310	0.000	1	100.8310	0.000	1	100.8310	0.000	1	100.8310	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O){1|C<4>,1|H<1>}	H(C[5]N[5]O[5]C)	108.9920	0.000	1	108.9920	0.000	1	109.3235	0.109	6	109.3235	0.109	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){1|O<1>}	H(C[5]N[5]O[5]C)	109.5777	0.271	3	109.3898	0.103	5	109.3235	0.109	6	109.3235	0.109	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:3:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){2|H<1>}	H(C[5]N[5]O[5]C)	109.1080	0.027	2	109.3898	0.103	5	109.3235	0.109	6	109.3235	0.109	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]N[5]O[5]C)	108.2175	0.057	2	108.2175	0.003	2	109.2062	0.991	5	109.0726	0.791	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]N[5]O[5]C)	109.5490	0.000	1	109.5490	0.000	1	109.2062	0.991	5	109.0726	0.791	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]N[5]O[5]C)	110.0235	0.742	2	110.0235	0.550	2	109.2062	0.991	5	109.0726	0.791	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:4:	4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:Si-4:	C[5]-4:	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SiCOO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SiCOO){2|H<1>}	H(C[5]N[5]O[5]C)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.0726	0.791	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:2:4:1:	4:4:4:	4:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH){2|H<1>}	H(C[5]N[5]S[5]C)	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	109.0726	0.791	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	3:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	H(C[5]N[5]2H)	110.1920	0.395	2	110.1920	0.156	2	110.1920	0.156	2	110.1920	0.156	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2{2|N<3>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH){1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6050	0.014	2	110.6050	0.000	2	110.6050	0.000	2	110.7175	0.434	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2{2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<6>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.0440	0.034	2	110.0440	0.001	2	110.0440	0.001	2	110.7175	0.434	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<6>,2|C<4>,3|C<3>}	H(C[5]N[5]2H)	111.5035	0.019	2	111.5035	0.000	2	111.5035	0.000	2	110.7175	0.434	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:1:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2	N[5](C[5]N[5]HH)(C[5]C[5]N)(H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]N[5]HH)(C[5]C[5]N)(H){1|C<3>,2|H<1>}	H(C[5]N[5]2H)	111.6390	0.733	2	111.6390	0.537	2	111.6390	0.537	2	111.6390	0.537	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2{1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3700	0.048	2	111.3700	0.002	2	111.3700	0.002	2	111.4075	0.003	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2{1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO){1|C<3>,1|S<1>}	H(C[5]N[5]2H)	111.4450	0.024	2	111.4450	0.001	2	111.4450	0.001	2	111.4075	0.003	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){2|C<3>}	H(C[5]C[5]N[5]H)	111.2030	0.099	2	111.2030	0.010	2	111.2030	0.010	2	111.0584	0.075	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]C[6a])2(H)2{2|H<1>,2|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]N[5]2H)	110.6947	0.057	4	110.6947	0.003	4	110.6947	0.003	4	111.0584	0.075	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])2(H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C[6a])2(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH){2|N<3>,5|C<3>,5|H<1>}	H(C[5]N[5]2H)	111.2745	0.021	2	111.2745	0.000	2	111.2698	0.000	4	111.0584	0.075	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])2(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C[6a])2(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5]2H)	111.2650	0.023	2	111.2650	0.001	2	111.2698	0.000	4	111.0584	0.075	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,6|C<3>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|H<1>,5|C<3>}	H(C[5]N[5]2H)	111.2185	0.013	2	111.2185	0.000	2	111.2185	0.000	2	111.0584	0.075	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:1:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	110.6015	0.012	2	110.6015	0.000	2	110.6015	0.000	2	110.7055	0.015	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:1:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)	H(C[5]N[5]2H)	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[5]N[5]2H)	110.8095	0.018	2	110.8095	0.000	2	110.8095	0.000	2	110.7055	0.015	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:2:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CC)(OC)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2{3|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]CC)(OC){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.5850	0.100	2	110.5850	0.010	2	110.5850	0.010	2	110.5850	0.010	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)(SCO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)(SCO){1|C<4>,4|C<3>}	H(C[5]C[5,5]N[5]H)	111.2125	0.008	2	111.2125	0.000	2	111.2125	0.000	2	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3175	0.023	2	111.3175	0.001	2	111.3175	0.001	2	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]O){1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9314	0.101	8	110.9314	0.010	8	110.9314	0.010	8	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[3,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	H(C[5]N[3,5]N[5]H)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[3,5]N[5]H)	110.2890	0.014	2	110.2890	0.000	2	110.2890	0.000	2	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,3|N<3>}	H(C[5]N[5]2H)	111.6920	0.025	2	111.4338	0.052	10	111.1619	1.584	14	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<4>,1|H<1>,3|N<3>}	H(C[5]N[5]2H)	111.3692	0.207	8	111.4338	0.052	10	111.1619	1.584	14	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|O<2>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]N[5]2H)	110.4820	2.417	4	110.4820	5.844	4	111.1619	1.584	14	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(SCO)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(SCO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5]2H)	110.8922	0.068	4	110.8922	0.005	4	110.7095	0.083	6	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:3:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SCO)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SCO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5]2H)	110.3440	0.024	2	110.3440	0.001	2	110.7095	0.083	6	110.9886	0.706	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]CH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[5](C[5]C[5,5]HH)2(CC[6a]CH){2|S<2>}	H(C[5]C[5,5]N[5]H)	111.5534	0.038	7	111.5534	0.001	7	111.5534	0.001	7	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.5670	0.086	2	111.5670	0.007	2	111.4201	0.011	15	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]N[5]H)	111.3570	0.013	2	111.3570	0.000	2	111.4201	0.011	15	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[5]C[5,5]N[5]H)	111.2890	0.109	3	111.2890	0.012	3	111.4201	0.011	15	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.4610	0.041	4	111.4483	0.001	8	111.4201	0.011	15	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.4355	0.033	4	111.4483	0.001	8	111.4201	0.011	15	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(CC[6a]HH){1|C<3>,1|N<3>}	H(C[5]C[5,5a]N[5]H)	111.9385	0.005	2	111.9385	0.000	2	111.7245	0.063	4	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(CC[6a]HH){1|C<3>,1|N<3>}	H(C[5]C[5,5a]N[5]H)	111.5105	0.066	2	111.5105	0.004	2	111.7245	0.063	4	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5a]N[5]H)	111.5680	0.006	2	111.5680	0.000	2	111.6335	0.006	4	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5a]N[5]H)	111.6990	0.011	2	111.6990	0.000	2	111.6335	0.006	4	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(SC[6a]OO)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	N[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,6,6]N[5]H)	111.4240	0.330	2	111.4240	0.109	2	111.2160	1.907	6	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6,6]HH)2(SC[6a]OO)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2{1|N<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6,6]HH)2(SC[6a]OO){2|C<4>}	H(C[5]C[5,6,6]N[5]H)	111.1120	1.761	4	111.1120	3.100	4	111.2160	1.907	6	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2{2|H<1>,3|C<3>}	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH){1|N<2>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.3640	0.014	2	111.3640	0.000	2	111.3640	0.000	2	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.3040	0.088	8	111.3040	0.008	8	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.7010	0.013	2	111.7010	0.000	2	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[5]C[5,6]N[5]H)	111.1670	0.000	1	111.1670	0.000	1	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5,6]N[5]H)	111.2455	0.021	2	111.2719	0.149	24	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6]N[5]H)	111.3025	0.237	4	111.2719	0.149	24	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5,6]N[5]H)	111.3530	0.049	2	111.2719	0.149	24	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.3818	0.721	6	111.2719	0.149	24	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.4225	0.078	2	111.2719	0.149	24	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.0113	0.265	4	111.2719	0.149	24	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.2343	0.102	4	111.2719	0.149	24	111.3007	0.113	35	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.0890	3.055	2	111.0890	9.331	2	111.0291	0.642	19	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CCCH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CCCH){2|C<3>}	H(C[5]C[5,6a]N[5]H)	110.5427	0.083	6	110.5427	0.007	6	111.0291	0.642	19	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(CC[6a]HH){2|N<2>}	H(C[5]C[5,6a]N[5]H)	111.2835	0.067	11	111.2835	0.004	11	111.0291	0.642	19	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4260	0.045	4	111.4260	0.002	4	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.6280	0.000	1	111.3670	0.201	68	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4695	0.008	2	111.3670	0.201	68	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2450	0.909	15	111.3670	0.201	68	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5730	0.000	1	111.3670	0.201	68	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.1336	0.190	8	111.3670	0.201	68	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4340	0.125	37	111.3670	0.201	68	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5037	0.104	4	111.3670	0.201	68	111.3703	0.189	72	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.3860	3.486	2	110.3860	12.152	2	109.9389	3.421	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.6883	0.061	4	110.6883	0.004	4	109.9389	3.421	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	108.4975	0.189	2	108.4975	0.036	2	109.9389	3.421	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	109.4345	3.358	2	109.4345	11.277	2	109.9389	3.421	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7430	0.021	2	110.7430	0.000	2	110.7430	0.000	2	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2{1|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	108.6870	2.974	2	108.6870	8.845	2	110.4168	2.113	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8020	0.049	2	110.8020	0.002	2	110.4168	2.113	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.9220	0.072	2	109.9220	0.005	2	110.4168	2.113	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3365	0.065	4	111.3365	0.004	4	110.4168	2.113	10	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]CH){2|C<3>}	H(C[5]C[5]N[5]H)	110.9570	0.137	7	110.9570	0.019	7	111.0252	0.053	8	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.5030	0.000	1	111.5030	0.000	1	111.0252	0.053	8	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(PC[6a]2O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(PC[6a]2O){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0770	0.018	2	111.0770	0.000	2	111.0770	0.000	2	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0885	0.033	2	111.0885	0.001	2	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2508	0.182	5	111.1898	0.022	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1135	0.041	4	111.1898	0.022	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1180	0.007	2	111.1885	0.007	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2590	0.006	2	111.1885	0.007	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,1|I<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|I<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.5425	0.009	2	111.5425	0.000	2	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	123.9760	17.733	2	116.4607	188.093	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	108.9455	4.890	2	116.4607	188.093	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	108.9360	1.674	2	108.9360	2.804	2	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.7870	0.000	1	110.9053	0.774	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.4770	0.690	2	110.9053	0.774	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4495	0.022	2	110.9053	0.774	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.3770	1.055	4	110.9053	0.774	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1990	0.007	2	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.3792	0.071	4	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5]N[5]H)	111.0135	0.780	12	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1339	0.114	18	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.2788	0.050	4	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2580	0.023	2	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.3911	1.702	32	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0940	0.007	2	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1156	0.121	27	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<2>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3180	0.007	2	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2935	0.045	2	110.9174	1.041	107	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7775	0.033	4	110.7775	0.001	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	109.6480	2.748	2	110.6777	2.167	6	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1925	0.188	4	110.6777	2.167	6	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1905	0.039	2	111.1905	0.002	2	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2870	0.023	2	110.7640	2.033	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]H)	110.2410	2.237	2	110.7640	2.033	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<2>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3610	0.000	1	111.3658	0.028	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4825	0.169	2	111.3658	0.028	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1005	0.054	2	111.3658	0.028	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]H)	111.4412	0.043	4	111.3658	0.028	9	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3255	1.992	4	111.3255	3.968	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.5425	0.122	4	111.5425	0.015	4	111.0880	4.943	172	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2{1|P<4>,2|C<3>}	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3){1|N<2>,1|P<4>,4|C<3>}	H(C[5]C[5]N[5]H)	110.2065	1.305	2	110.2065	1.702	2	110.2065	1.702	2	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2{3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	110.6395	0.012	2	110.6395	0.000	2	110.6395	0.000	2	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5,6]C)2(H)2	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,5,6]C)2(H)2{2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5]2H)	111.1933	0.068	3	111.1933	0.005	3	111.1933	0.005	3	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH){3|C<4>,3|H<1>}	H(C[5]N[5]2H)	110.5150	0.034	2	110.5150	0.001	2	109.9114	0.373	41	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH){3|C<4>,3|H<1>}	H(C[5]N[5]2H)	110.5295	0.011	2	110.5295	0.000	2	109.9114	0.373	41	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH){3|C<4>,3|H<1>}	H(C[5]N[5]2H)	109.6606	0.401	32	109.6606	0.161	32	109.9114	0.373	41	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH){3|C<4>,3|H<1>}	H(C[5]N[5]2H)	110.7970	0.008	2	110.7970	0.000	2	109.9114	0.373	41	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)2(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C)2(H)2{2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[5]N[5]2H)	111.1817	0.020	3	111.1817	0.000	3	109.9114	0.373	41	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|S<3>}	H(C[5]N[5]2H)	110.8315	0.072	4	110.7284	0.057	5	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|S<3>}	H(C[5]N[5]2H)	110.3160	0.000	1	110.7284	0.057	5	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,1|O<1>}	H(C[5]N[5]2H)	111.2875	0.019	2	111.2875	0.000	2	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3){1|C<4>,1|O<1>}	H(C[5]N[5]2H)	111.2450	0.004	2	111.2450	0.000	2	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]N[5]2H)	110.5361	0.704	20	110.5361	0.496	20	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP){1|C<4>,2|H<1>}	H(C[5]N[5]2H)	110.1445	0.024	4	110.1445	0.001	4	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH){1|C<4>,2|H<1>}	H(C[5]N[5]2H)	109.4707	0.020	4	109.4707	0.000	4	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH){1|C<3>,1|O<1>}	H(C[5]N[5]2H)	110.7010	0.008	2	110.7010	0.000	2	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH){1|C<3>,1|O<1>}	H(C[5]N[5]2H)	111.4555	0.359	2	111.4555	0.129	2	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]N[5]2H)	110.7875	0.018	2	110.7875	0.000	2	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	H(C[5]N[5]2H)	110.7345	0.023	2	110.7345	0.001	2	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	H(C[5]N[5]2H)	110.7805	0.026	2	110.7805	0.001	2	110.5704	0.419	47	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(SC[6a]OO)	H(C[5]N[5]2H)	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]N[5]HH)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]N[5]2H)	110.8650	0.038	2	110.8650	0.001	2	110.8650	0.001	2	110.9731	2.295	466	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	3:4:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]O)	103.0480	0.000	1	103.0480	0.000	1	103.0480	0.000	1	103.0480	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:2:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	109.5680	0.119	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	H(C[5]C[6a]N[5]O[5])	109.8120	0.000	1	109.8120	0.000	1	109.8120	0.000	1	109.5680	0.119	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:3:4:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:1:	4:	C[6]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H)	N[5](C[5]C[6]S[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6]N[5]S[5])	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6]S[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[6]N[5]S[5])	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	108.1683	0.667	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:1:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	108.4230	0.348	2	108.4230	0.121	2	108.4230	0.121	2	108.1683	0.667	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:1:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	106.6540	0.000	1	106.6540	0.000	1	107.8480	1.287	3	108.1683	0.667	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:1:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	107.9780	0.000	1	107.9780	0.000	1	107.8480	1.287	3	108.1683	0.667	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:1:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<2>,2|C<4>}	H(C[5]C[6a]N[5]S[5])	108.9120	0.000	1	108.9120	0.000	1	107.8480	1.287	3	108.1683	0.667	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:2:	4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:S[5]-4:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a])	H(C[5]C[5,6a]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]){2|C<3>}	H(C[5]C[5,6a]N[5]S)	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H)	N[5](C[5]C[5,6a]HO)2(NC[6a]H)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HO)2(NC[6a]H){2|C<3>}	H(C[5]C[5,6a]N[5]O)	108.3270	0.057	2	108.3270	0.003	2	108.3270	0.003	2	108.4573	0.053	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.4573	0.053	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H)	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]O)	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	H(C[5]C[5,6a]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	H(C[5]C[5,6a]N[5]S)	107.5187	0.539	4	107.5187	0.290	4	107.9837	0.610	9	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH)	H(C[5]C[5,6a]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]S)	108.3556	0.783	5	108.3556	0.613	5	107.9837	0.610	9	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5a]N[5]O[5])	108.7445	0.169	2	108.7445	0.029	2	109.2841	0.198	7	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5a]N[5]O[5])	109.4442	0.308	4	109.4442	0.095	4	109.2841	0.198	7	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(C[5]C[5a]N[5]O[5])	109.7230	0.000	1	109.7230	0.000	1	109.2841	0.198	7	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5a]N[5]O[5])	110.0810	0.000	1	110.0810	0.000	1	110.0810	0.000	1	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO){5|C<3>}	H(C[5]C[6a]N[5]2)	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	110.7090	0.000	1	110.7090	0.000	1	109.8000	1.653	2	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	108.8910	0.000	1	108.8910	0.000	1	109.8000	1.653	2	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	108.7585	0.081	2	108.7585	0.007	2	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	108.5850	0.000	1	108.5850	0.000	1	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3){1|O<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.8320	0.000	1	109.8320	0.000	1	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH){2|C<2>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.8433	0.506	3	109.8433	0.256	3	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH){2|C<2>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	110.1590	0.000	1	110.1590	0.000	1	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3){2|C<2>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	110.2190	0.000	1	110.2190	0.000	1	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH){1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	109.3755	0.194	2	109.3755	0.038	2	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	109.9520	0.000	1	109.6047	0.080	8	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	109.4667	0.368	3	109.6047	0.080	8	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	109.6215	0.189	4	109.6047	0.080	8	109.5490	0.252	19	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SCOO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SCOO){1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.6540	0.000	1	110.6540	0.000	1	110.0790	0.224	4	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SC[6a]OO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.0455	0.286	2	110.0455	0.082	2	110.0790	0.224	4	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.5710	0.000	1	109.5710	0.000	1	110.0790	0.224	4	109.2544	0.822	44	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:3:4:	4:	B[5]-3:N[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH)	H(C[5]B[5]N[5]C)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H){1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH){1|H<1>,2|C<4>,5|C<3>}	H(C[5]B[5]N[5]C)	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:3:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])2(COO)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	H(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])2(COO)(H){1|H<1>,6|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	H(C[5]N[5]2C)	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	C[5]-3:N[5]-3:N-3:H-1:	N[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H)	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3)	H(C[5]C[5]N[5]N)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H){3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3){3|C<3>}	H(C[5]C[5]N[5]N)	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	110.6248	1.377	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H){1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	110.6248	1.377	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)	H(C[5]N[5]2C)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5]2C)	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	110.6248	1.377	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	H(C[5]N[5]2C)	109.4830	0.000	1	109.4830	0.000	1	110.3540	1.517	2	110.6248	1.377	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)	H(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])2(COO)(H){1|H<1>,6|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH){2|H<1>,4|C<3>}	H(C[5]N[5]2C)	111.2250	0.000	1	111.2250	0.000	1	110.3540	1.517	2	110.6248	1.377	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	110.6248	1.377	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:N[5]-3:P-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(PHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP)	H(C[5]N[5]2P)	C[5](N[5]C[6a]C[5])2(PHH)(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5]2P)	111.3230	0.021	2	111.3230	0.000	2	111.3230	0.000	2	110.6248	1.377	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H){1|Pt<4>,3|C<3>}	H(C[5]C[6a]N[5]2)	106.4050	0.000	1	106.4050	0.000	1	108.4680	8.512	2	108.4680	8.512	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH){1|Pt<6>,3|C<3>}	H(C[5]C[6a]N[5]2)	110.5310	0.000	1	110.5310	0.000	1	108.4680	8.512	2	108.4680	8.512	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	109.3803	0.231	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Au<2>,1|C<4>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.3800	0.000	1	109.3800	0.000	1	109.0976	0.160	5	109.3803	0.231	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.0560	0.000	1	109.0270	0.180	4	109.0976	0.160	5	109.3803	0.231	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	H(C[5]C[6a]N[5]2)	108.8320	0.576	2	109.0270	0.180	4	109.0976	0.160	5	109.3803	0.231	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.3880	0.000	1	109.0270	0.180	4	109.0976	0.160	5	109.3803	0.231	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:2:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.6137	0.265	3	109.6137	0.070	3	109.6137	0.070	3	109.3803	0.231	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:2:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2263	0.155	3	109.2263	0.024	3	109.2263	0.024	3	109.2263	0.024	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2020	0.895	2	109.2020	0.801	2	109.2020	0.801	2	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){2|H<1>,6|C<3>}	H(C[5]C[5]N[5]C)	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){4|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	110.0080	0.000	1	110.0080	0.000	1	108.9834	0.341	5	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	108.5980	0.000	1	108.7593	0.020	3	108.9834	0.341	5	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	108.8400	0.000	2	108.7593	0.020	3	108.9834	0.341	5	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	108.6310	0.000	1	108.6310	0.000	1	108.9834	0.341	5	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	109.3025	0.665	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H){2|S<2>,3|H<1>,4|C<3>}	N[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5a]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H){3|H<1>,6|C<3>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H){1|H<1>,1|S<2>,3|C<3>}	H(C[5]C[5a]N[5]2)	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H){1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[3,5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H)	H(C[5]N[3,5]C[6a]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H){1|C<4>,3|C<3>}	H(C[5]N[3,5]C[6a]N[5])	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H){2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H){1|N<2>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[6a]N[5]2)	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.3960	0.000	1	109.3960	0.000	1	108.8891	0.138	14	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]N[5]2)	108.7505	0.028	2	108.7629	0.098	7	108.8891	0.138	14	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	108.7678	0.383	5	108.7629	0.098	7	108.8891	0.138	14	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[6a]N[5]2)	108.9013	0.366	3	108.9013	0.134	3	108.8891	0.138	14	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[6a]N[5]2)	108.7085	0.120	2	108.7085	0.014	2	108.8891	0.138	14	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[6a]N[5]2)	109.5910	0.000	1	109.5910	0.000	1	108.8891	0.138	14	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]C[6a]H)(H)	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]C[6a]H)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]N[3,5]C[6a]N[5])	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H)	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H){1|C<4>,3|C<3>}	H(C[5]N[3,5]C[6a]N[5])	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	108.8890	0.000	2	108.8890	0.000	2	109.2520	0.395	3	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:1:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,4|C<3>}	H(C[5]C[6a]N[5]2)	109.9780	0.000	1	109.9780	0.000	1	109.2520	0.395	3	109.0872	0.518	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi)	H(C[5]C[5a]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	H(C[5]C[5a]N[5]2)	107.5745	0.021	2	107.5745	0.000	2	108.7785	1.933	4	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH)	H(C[5]C[5a]N[5]2)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H){2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH){1|N<2>,1|O<2>,1|S<2>,2|C<4>}	H(C[5]C[5a]N[5]2)	109.9825	0.009	2	109.9825	0.000	2	108.7785	1.933	4	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5860	0.000	1	110.5860	0.000	1	109.8713	0.451	3	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2540	0.000	1	109.5140	0.135	2	109.8713	0.451	3	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7740	0.000	1	109.5140	0.135	2	109.8713	0.451	3	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|N<3>,2|C<3>}	H(C[5]C[6a]N[5]2)	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(OSi)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(OSi){1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[6a]N[5]2)	109.1514	0.151	7	109.1514	0.023	7	109.1514	0.023	7	109.3172	0.859	16	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[5a]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H){3|H<1>,6|C<3>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	H(C[5]C[5a]N[5]2)	109.9960	0.000	1	109.9960	0.000	1	109.9960	0.000	1	109.4546	1.320	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	H(C[5]N[3,5]C[6a]N[5])	108.6790	0.000	1	108.6790	0.000	1	108.4310	0.123	2	109.4546	1.320	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|C<3>,6|H<1>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	H(C[5]N[3,5]C[6a]N[5])	108.1830	0.000	1	108.1830	0.000	1	108.4310	0.123	2	109.4546	1.320	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]N[5,5]C[6a]N[5])	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	109.4546	1.320	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:3:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]N[5]2)	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.4546	1.320	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	H(C[5]C[5,6a]2N[5])	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){2|C<4>,5|C<3>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]2N[5])	109.0910	0.277	2	109.0910	0.077	2	109.0910	0.077	2	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO){4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	H(C[5]C[5,6a]N[5]N)	107.9855	0.372	4	107.9855	0.138	4	108.1555	0.163	6	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(C[5]C[5,6a]N[5]N)	108.4955	0.230	2	108.4955	0.053	2	108.1555	0.163	6	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8960	0.000	1	109.8960	0.000	1	109.9590	0.008	2	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO){5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0220	0.000	1	110.0220	0.000	1	109.9590	0.008	2	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)(H){1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SCOO){2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4587	1.450	3	109.4587	2.102	3	109.4587	2.102	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>}	H(C[5]C[5]N[5]C)	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H){3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.6480	0.000	1	109.6480	0.000	1	109.8787	0.929	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H){3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	109.0510	0.000	1	109.0510	0.000	1	109.8787	0.929	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(COO)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.9370	0.000	1	110.9370	0.000	1	109.8787	0.929	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5a]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H){1|N<2>,1|N<3>,5|H<1>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5a]N[5]2)	110.1630	0.017	2	110.1630	0.000	2	110.1630	0.000	2	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1400	0.000	1	109.1400	0.000	1	109.2120	0.098	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|O<1>,1|S<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9410	0.000	1	108.9410	0.000	1	109.2120	0.098	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5550	0.000	1	109.5550	0.000	1	109.2120	0.098	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(PC[6a]2O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H){2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(PC[6a]2O){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3638	0.738	6	109.3638	0.545	6	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	111.2380	0.000	1	110.3635	1.698	4	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8290	0.000	1	110.3635	1.698	4	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	111.6310	0.000	1	110.3635	1.698	4	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7560	0.000	1	110.3635	1.698	4	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1750	0.000	1	110.1750	0.000	1	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2340	0.000	1	109.2340	0.000	1	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4395	0.278	2	109.4395	0.077	2	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3970	0.000	1	108.8613	0.216	3	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5935	0.043	2	108.8613	0.216	3	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H){1|Br<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|I<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0860	0.000	1	109.0860	0.000	1	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|S<3>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1825	0.100	2	110.1825	0.010	2	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]O[5])(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]O[5])(C[5]C[6a]C[5]H)(SC[6a]OO){7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6950	0.000	1	109.6950	0.000	1	109.6026	0.705	21	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){2|C<3>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.7460	0.027	2	108.7460	0.001	2	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.7842	0.400	5	108.7842	0.160	5	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|O<1>,1|S<4>,4|C<3>}	H(C[5]C[6a]N[5]2)	110.5190	0.000	1	110.0515	0.437	2	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	109.5840	0.000	1	110.0515	0.437	2	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	110.4780	0.000	1	110.4780	0.000	1	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]N[5]2)	110.9575	1.855	2	110.9575	3.440	2	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	110.4940	0.000	1	110.4940	0.000	1	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	113.6230	0.000	1	113.6230	0.000	1	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.7698	0.661	8	109.7698	0.437	8	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]N[5]2)	113.1610	0.000	1	110.6696	1.225	7	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	110.2543	0.145	6	110.6696	1.225	7	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.7095	0.090	2	108.7095	0.008	2	109.9448	1.590	31	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]N[5]2)	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(SC[6a]OO)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	H(C[5]N[5,5]C[6a]N[5])	109.9348	0.503	5	109.9348	0.253	5	109.9348	0.253	5	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[6a]N[5])	109.8770	0.000	1	109.8770	0.000	1	109.6815	0.076	2	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH){1|N<2>,3|C<3>}	H(C[5]N[5,6]C[6a]N[5])	109.4860	0.000	1	109.4860	0.000	1	109.6815	0.076	2	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|H<1>,6|C<3>}	H(C[5]C[6a]N[5]2)	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(SC[6a]OO)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,7|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(SC[6a]OO){7|C<3>}	H(C[5]C[6a]N[5]2)	109.3040	0.000	1	109.3040	0.000	1	109.0820	0.175	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	108.6000	0.000	1	108.6000	0.000	1	109.0820	0.175	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	109.3420	0.000	1	109.3420	0.000	1	109.0820	0.175	3	109.6832	1.214	91	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3){4|C<3>}	H(C[5]C[5,5a]N[5]C)	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	111.5375	3.367	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	3:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H)	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H){3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3){3|C<3>}	H(C[5]C[5]N[5]C)	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	111.5375	3.367	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:Br-1:	C[5]-4:	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(Br)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H){1|Br<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(Br){1|Br<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,4|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7400	0.000	1	109.7400	0.000	1	109.2200	0.541	2	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	108.7000	0.000	1	108.7000	0.000	1	109.2200	0.541	2	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4319	0.285	7	109.4319	0.081	7	109.4319	0.081	7	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6740	0.000	1	108.4857	4.531	4	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4770	0.404	2	108.4857	4.531	4	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	105.3150	0.000	1	108.4857	4.531	4	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7320	0.000	1	109.4443	0.475	4	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8250	0.000	1	109.4443	0.475	4	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4120	0.000	1	109.4443	0.475	4	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8080	0.000	1	109.4443	0.475	4	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|P<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|P<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7545	0.268	2	108.7545	0.072	2	108.9229	1.889	10	109.1719	1.024	20	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<4>}	H(C[5]C[5]N[5]C)	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	109.1561	0.518	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:B[5]-3:C[6]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]C[6]N[5])(C[6]C[6]2H)(H)	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	H(C[5]B[5]C[6]N[5])	C[5](N[5]C[6a]C[5])(B[5]C[6]N[5])(C[6]C[6]2H)(H){3|C<3>,4|C<4>,5|H<1>}	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<4>,6|C<3>}	H(C[5]B[5]C[6]N[5])	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	109.1561	0.518	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6310	0.000	1	108.6310	0.000	1	108.5400	0.017	2	109.1561	0.518	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4490	0.000	1	108.4490	0.000	1	108.5400	0.017	2	109.1561	0.518	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0794	0.703	5	109.0794	0.494	5	109.0794	0.494	5	109.1561	0.518	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H){4|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO){2|C<3>}	H(C[5]C[5]N[5]C)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5a]C[5]N[5])	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[6]N[5]2)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H){4|C<3>,5|H<1>}	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6]N[5]2)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5170	0.000	1	108.5170	0.000	1	108.8655	0.243	2	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2140	0.000	1	109.2140	0.000	1	108.8655	0.243	2	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<4>,2|H<1>,6|C<3>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	H(C[5]N[5a]C[5]N[5])	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	108.7851	1.571	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H){1|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6]N[5]C)	109.0870	0.000	1	109.0870	0.000	1	108.4410	0.835	2	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H){1|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6]N[5]C)	107.7950	0.000	1	107.7950	0.000	1	108.4410	0.835	2	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H)	N[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(H){2|C<3>}	H(C[5]C[5,6]N[5]C)	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	107.5420	1.945	2	107.5420	3.781	2	108.2853	3.548	3	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.7720	0.000	1	109.7720	0.000	1	108.2853	3.548	3	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]C)	114.8540	0.000	1	114.8540	0.000	1	114.8540	0.000	1	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.2810	0.914	2	108.2810	0.835	2	108.7635	0.593	4	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.1640	0.000	1	109.1640	0.000	1	108.7635	0.593	4	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.3280	0.000	1	109.3280	0.000	1	108.7635	0.593	4	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]H)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5a]C[5]N[5])	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5920	0.102	2	108.5920	0.010	2	108.8162	0.436	4	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7810	0.000	1	109.7810	0.000	1	108.8162	0.436	4	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3000	0.000	1	108.3000	0.000	1	108.8162	0.436	4	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.7390	0.000	1	107.7900	0.856	5	107.7900	0.856	5	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.5015	1.698	2	107.7900	0.856	5	107.7900	0.856	5	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1040	0.417	2	107.7900	0.856	5	107.7900	0.856	5	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H)	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H){2|C<3>,2|H<1>,2|N<2>}	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|H<1>,2|P<4>}	H(C[5]C[6a]C[5]N[5])	108.8845	0.128	2	108.8845	0.016	2	108.8845	0.016	2	108.9439	3.110	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H)	N[5](C[5]C[5,6a]CH)2(SCO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SCO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	111.7150	0.000	1	111.7150	0.000	1	109.2890	11.771	2	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6a]CH)2(SCO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SCO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	106.8630	0.000	1	106.8630	0.000	1	109.2890	11.771	2	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[5,6a]N[5]C)	108.4195	0.285	2	108.4195	0.081	2	108.4195	0.081	2	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.0980	0.000	1	109.0980	0.000	1	109.8620	0.573	5	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O){1|O<1>}	H(C[5]C[5]N[5]C)	109.5000	0.000	1	109.5000	0.000	1	109.8620	0.573	5	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){1|O<1>}	H(C[5]C[5]N[5]C)	110.6760	0.000	2	110.6760	0.000	2	109.8620	0.573	5	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){1|O<1>}	H(C[5]C[5]N[5]C)	109.3600	0.000	1	109.3600	0.000	1	109.8620	0.573	5	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5850	0.000	2	109.5850	0.000	2	109.5850	0.000	2	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7000	0.000	1	108.7000	0.000	1	109.0670	0.210	3	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2505	0.466	2	109.2505	0.217	2	109.0670	0.210	3	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|C<2>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8180	0.000	1	108.4270	0.742	2	108.5663	0.429	3	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|C<2>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0360	0.000	1	108.4270	0.742	2	108.5663	0.429	3	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8450	0.000	1	108.8450	0.000	1	108.5663	0.429	3	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2615	0.816	4	109.2615	0.665	4	109.2615	0.665	4	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5a]-3:	C[5]-4:	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2){1|N<3>,5|C<3>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5564	12.148	2	109.0235	30.279	6	109.0235	30.279	6	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5a]-3:	C[5]-4:	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2){2|N<2>,4|C<3>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2570	1.029	4	109.0235	30.279	6	109.0235	30.279	6	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO){1|C<4>,1|O<1>}	H(C[5]N[5]2C)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5]-4:	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5]C[5]N[5]2)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	H(C[5]C[5]N[5]2)	111.7721	0.306	12	111.6895	0.254	80	111.6895	0.254	80	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:3:	4:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5]-4:	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	H(C[5]C[5]N[5]2)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<4>,2|H<1>,5|N<3>}	H(C[5]C[5]N[5]2)	111.6749	0.531	68	111.6895	0.254	80	111.6895	0.254	80	111.0043	2.996	111	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5,5]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H)	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,5]N[5]C)	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5,6a]CH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	111.1140	0.000	1	111.1140	0.000	1	110.0423	0.862	3	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO){4|C<3>}	H(C[5]C[5,6a]N[5]C)	109.5300	0.000	1	109.5300	0.000	1	110.0423	0.862	3	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5,6a]CH)2(SC[6a]OO)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SC[6a]OO){2|C<3>}	H(C[5]C[5,6a]N[5]C)	109.4830	0.000	1	109.4830	0.000	1	110.0423	0.862	3	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3){2|C<3>}	H(C[5]C[5,6a]N[5]C)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9970	0.000	1	108.9970	0.000	1	109.0925	0.018	2	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1880	0.000	1	109.1880	0.000	1	109.0925	0.018	2	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.3000	0.000	1	110.3000	0.000	1	110.0274	2.665	10	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H){1|C<3>,1|H<1>,1|S<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|S<3>,2|C<3>}	H(C[5]C[5]N[5]C)	112.1120	3.322	2	112.1120	11.036	2	110.0274	2.665	10	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.8380	0.000	1	108.8380	0.000	1	110.0274	2.665	10	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	110.2630	0.000	1	110.2630	0.000	1	110.0274	2.665	10	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.3298	0.266	5	109.3298	0.071	5	110.0274	2.665	10	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[5,5]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]C)	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:C[5]-3:C-4:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,4|C<4>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5]N[5]C)	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CC3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(C[5]N[5]2C)	109.3420	0.000	1	109.3420	0.000	1	109.1910	3.429	7	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CCCS)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CCCS)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH){1|C<3>,2|H<1>}	H(C[5]N[5]2C)	112.5310	0.000	1	112.5310	0.000	1	109.1910	3.429	7	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]C)2(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH)	H(C[5]N[5]2C)	C[5](N[5]C[5]C)2(CH3)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5]2C)	109.0760	0.230	4	109.0760	0.053	4	109.1910	3.429	7	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)	H(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH){1|C<3>,1|O<1>}	H(C[5]N[5]2C)	106.1600	0.000	1	106.1600	0.000	1	109.1910	3.429	7	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)2(CC[6a]CH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(SC[6a]OO)	H(C[5]N[5]2C)	C[5](N[5]C[5]S)2(CC[6a]CH)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(SC[6a]OO){1|S<4>,2|H<1>}	H(C[5]N[5]2C)	109.9225	0.011	2	109.9225	0.000	2	109.9225	0.000	2	109.5818	1.950	29	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>}	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9710	0.061	2	108.9710	0.004	2	109.0931	0.311	17	109.0931	0.311	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|N<3>,2|O<2>}	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.0080	0.710	2	109.0080	0.504	2	109.0931	0.311	17	109.0931	0.311	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<2>,1|O<2>}	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.8590	0.000	1	109.2309	0.502	7	109.0931	0.311	17	109.0931	0.311	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.2928	0.755	6	109.2309	0.502	7	109.0931	0.311	17	109.0931	0.311	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<2>}	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9890	0.433	3	108.9890	0.187	3	109.0931	0.311	17	109.0931	0.311	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|N<3>,2|O<2>}	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.7060	0.533	2	108.7060	0.284	2	109.0931	0.311	17	109.0931	0.311	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:3:4:1:	5:4:1:	4:	N[5]-3:C[5]-3:C-4:H-1:	P[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|N<3>,1|O<2>}	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.6300	0.000	1	109.6300	0.000	1	109.0931	0.311	17	109.0931	0.311	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH){1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9205	0.025	2	110.9205	0.001	2	110.9205	0.001	2	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH){1|Rh<8>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6977	0.035	4	110.6977	0.001	4	110.6977	0.001	4	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6840	0.011	2	110.6840	0.000	2	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.8595	1.102	2	111.8595	1.215	2	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9390	0.047	2	110.5563	0.596	8	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<3>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8490	0.051	2	110.5563	0.596	8	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.2185	1.040	4	110.5563	0.596	8	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.7045	0.062	2	110.7045	0.004	2	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0510	0.057	2	110.8732	0.013	8	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7985	0.046	2	110.8732	0.013	8	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8217	0.029	4	110.8732	0.013	8	110.8151	0.395	22	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1420	0.011	2	111.2276	0.011	8	111.2026	0.030	15	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1270	0.033	2	111.2276	0.011	8	111.2026	0.030	15	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.3208	0.047	4	111.2276	0.011	8	111.2026	0.030	15	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7770	0.000	1	110.7770	0.000	1	111.2026	0.030	15	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3110	0.362	2	111.3110	0.131	2	111.2026	0.030	15	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1980	0.008	2	111.1980	0.000	2	111.2026	0.030	15	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ru<8>,1|F<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.2115	0.040	2	111.2115	0.002	2	111.2026	0.030	15	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH){2|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1280	0.016	3	111.1280	0.000	3	111.1280	0.000	3	110.9562	0.232	46	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<4>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3285	0.030	2	111.3285	0.001	2	111.4247	0.028	3	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	111.6170	0.000	1	111.6170	0.000	1	111.4247	0.028	3	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0440	0.000	1	111.0440	0.000	1	110.6794	0.040	7	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5380	0.047	4	110.5380	0.002	4	110.6794	0.040	7	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7800	0.037	2	110.7800	0.001	2	110.6794	0.040	7	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8680	0.008	2	110.8680	0.000	2	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4050	0.028	2	111.4050	0.001	2	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1324	0.173	7	111.1324	0.030	7	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0130	0.689	2	111.0130	0.474	2	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4235	0.032	2	111.4108	0.001	4	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3980	0.014	2	111.4108	0.001	4	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3717	0.101	4	111.3717	0.010	4	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.5200	0.037	2	111.5200	0.001	2	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2305	0.013	2	111.3760	0.029	4	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|F<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.5215	0.029	2	111.3760	0.029	4	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2300	0.000	1	111.2300	0.000	1	111.2644	0.063	28	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7755	0.042	2	110.7755	0.002	2	110.7755	0.002	2	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7650	0.000	1	110.7650	0.000	1	110.5493	1.161	15	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6637	1.469	4	110.6923	1.580	8	110.5493	1.161	15	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7207	1.236	4	110.6923	1.580	8	110.5493	1.161	15	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.4300	0.987	2	109.4300	0.974	2	110.5493	1.161	15	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7692	0.662	4	110.7692	0.438	4	110.5493	1.161	15	110.9869	0.447	56	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.3340	0.089	2	111.3708	0.004	4	111.3708	0.004	4	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.4075	0.005	2	111.3708	0.004	4	111.3708	0.004	4	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]N[6])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[6]C[6,6a]N[6])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9915	0.166	2	110.9915	0.028	2	111.1153	0.030	4	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2390	0.028	2	111.2390	0.001	2	111.1153	0.030	4	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4740	0.000	1	111.4740	0.000	1	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.4575	0.005	2	110.4575	0.000	2	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	H(C[5]C[5]N[5]H)	111.2870	0.166	6	111.2870	0.028	6	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1553	0.229	3	111.1553	0.052	3	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9420	0.055	4	110.9420	0.003	4	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9923	0.037	3	110.9923	0.001	3	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]C[5]N[5]H)	110.8800	0.028	2	110.9115	0.002	4	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5]N[5]H)	110.9430	0.035	2	110.9115	0.002	4	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7600	0.021	2	110.7600	0.000	2	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2400	0.042	2	111.2400	0.002	2	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0495	0.093	4	110.9668	0.048	16	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9671	0.240	8	110.9668	0.048	16	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8833	0.277	4	110.9668	0.048	16	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9285	0.008	2	110.9285	0.000	2	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9275	0.026	2	110.9275	0.001	2	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0768	0.119	4	111.0768	0.014	4	111.0089	0.055	51	111.0407	0.058	59	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(C[6]C[6]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.5045	0.030	2	111.5045	0.001	2	111.5045	0.001	2	111.5045	0.001	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.7650	0.475	2	110.7650	0.226	2	111.1210	0.123	6	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2615	0.039	2	111.2615	0.002	2	111.1210	0.123	6	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.3365	0.018	2	111.3365	0.000	2	111.1210	0.123	6	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	112.0305	0.042	2	112.0305	0.002	2	111.1214	1.108	14	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.5465	2.983	2	110.5465	8.900	2	111.1214	1.108	14	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8315	0.028	2	110.8315	0.001	2	111.1214	1.108	14	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1410	0.020	2	111.1410	0.000	2	111.1214	1.108	14	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.5855	0.009	2	111.5855	0.000	2	111.1214	1.108	14	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6610	1.467	2	110.6610	2.151	2	111.1214	1.108	14	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{4|C<3>}	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	111.0535	0.015	2	111.0535	0.000	2	111.1214	1.108	14	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Pt<4>,3|C<3>}	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.4975	0.491	2	109.4975	0.242	2	110.0407	1.444	6	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7100	0.086	2	110.7100	0.007	2	110.0407	1.444	6	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Pt<4>,3|C<3>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.9145	2.336	2	109.9145	5.455	2	110.0407	1.444	6	110.8719	1.105	26	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.7873	0.135	3	110.7873	0.018	3	110.5168	0.147	5	110.7917	0.229	15	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5]N[5]H)	110.1110	0.049	2	110.1110	0.002	2	110.5168	0.147	5	110.7917	0.229	15	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2	N[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	N[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.6500	0.016	2	111.6500	0.000	2	111.6500	0.000	2	110.7917	0.229	15	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.8065	0.005	2	110.8065	0.000	2	110.8065	0.000	2	110.7917	0.229	15	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(H){2|P<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9758	0.057	4	110.9758	0.003	4	110.7297	0.148	6	110.7917	0.229	15	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2{2|N<2>}	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H){2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.2375	0.054	2	110.2375	0.003	2	110.7297	0.148	6	110.7917	0.229	15	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]H)	110.5415	0.018	2	110.5415	0.000	2	111.0130	0.141	8	111.0640	0.121	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]H)	111.0330	0.058	2	111.0330	0.003	2	111.0130	0.141	8	111.0640	0.121	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2387	0.333	4	111.2387	0.111	4	111.0130	0.141	8	111.0640	0.121	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.2680	0.017	2	111.2680	0.000	2	111.2680	0.000	2	111.0640	0.121	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,6|H<1>}	H(C[5]C[5]N[5]H)	111.3335	0.054	2	111.3335	0.003	2	111.3335	0.003	2	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	N[5](C[4]C[4]2C)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	N[5](C[4]C[4]2C)(C[5]C[5]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0832	0.020	4	111.0832	0.000	4	111.0832	0.000	4	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>}	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.2145	0.098	2	110.2145	0.010	2	110.2145	0.010	2	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7145	0.018	2	110.7145	0.000	2	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6440	0.000	1	110.9787	0.084	3	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1460	0.030	2	110.9787	0.084	3	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1110	0.000	1	111.3510	0.043	3	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4710	0.007	2	111.3510	0.043	3	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	110.7640	0.000	1	110.7640	0.000	1	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0266	0.114	5	111.0266	0.013	5	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7470	0.010	2	110.8096	0.053	11	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7007	0.087	7	110.8096	0.053	11	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2535	0.067	2	110.8096	0.053	11	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.8680	0.038	2	110.7223	0.026	8	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.7278	0.171	4	110.7223	0.026	8	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.5655	0.049	2	110.7223	0.026	8	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.0585	0.026	2	111.0585	0.001	2	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.3155	0.023	2	110.3155	0.001	2	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7225	0.018	2	110.7225	0.000	2	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8290	0.010	2	110.8290	0.000	2	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9360	0.000	1	110.9360	0.000	1	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9065	0.013	2	110.9065	0.000	2	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]H)	110.8240	0.838	18	110.8240	0.702	18	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8812	0.163	4	110.8812	0.027	4	110.8478	0.229	66	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8565	0.004	2	111.0948	0.082	4	110.9865	0.049	8	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.3330	0.140	2	111.0948	0.082	4	110.9865	0.049	8	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.8783	0.040	4	110.8783	0.002	4	110.9865	0.049	8	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.6625	0.016	2	110.5010	0.036	4	110.5010	0.036	4	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	110.3395	0.047	2	110.5010	0.036	4	110.5010	0.036	4	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	110.9013	0.080	3	110.9013	0.006	3	110.9963	0.011	7	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2{2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	111.0675	0.051	4	111.0675	0.003	4	110.9963	0.011	7	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9885	0.023	2	110.9885	0.001	2	111.1135	0.021	4	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2	N[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2{2|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2385	0.019	2	111.2385	0.000	2	111.1135	0.021	4	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[5]N[5]H)	110.7455	0.062	2	111.1368	4.094	14	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.4860	0.051	2	111.1368	4.094	14	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,2|N<3>,7|H<1>}	H(C[5]C[5]N[5]H)	113.5710	6.225	2	111.1368	4.094	14	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){2|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	110.7887	0.263	8	111.1368	4.094	14	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<3>,1|C<4>,8|H<1>}	H(C[5]C[5]N[5]H)	110.8869	0.231	8	110.8992	0.078	24	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|O<2>,6|H<1>}	H(C[5]C[5]N[5]H)	110.9620	0.358	8	110.8992	0.078	24	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.8489	0.256	8	110.8992	0.078	24	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]N[5]H)	110.4458	0.064	6	110.4458	0.004	6	110.9130	1.326	44	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P[6]-4:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(P[6]N[6]2O)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|O<2>,2|N<2>,4|H<1>}	N[5](C[5]C[5]HH)2(P[6]N[6]2O){2|P<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1847	0.166	4	111.1847	0.028	4	111.1847	0.028	4	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2{1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5]N[5]H)	111.0872	0.372	4	111.0872	0.138	4	110.9433	0.050	15	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5]N[5]H)	111.0007	0.063	3	110.8733	0.026	7	110.9433	0.050	15	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.7777	0.144	4	110.8733	0.026	7	110.9433	0.050	15	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.9220	0.068	4	110.9220	0.005	4	110.9433	0.050	15	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1673	0.012	3	111.0104	0.028	14	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9270	0.176	4	111.0104	0.028	14	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,2|N<3>,7|H<1>}	H(C[5]C[5]N[5]H)	111.0897	0.163	3	111.0104	0.028	14	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.9168	0.142	4	111.0104	0.028	14	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.3430	0.000	1	111.3430	0.000	1	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0870	0.109	4	111.0255	0.119	16	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2{1|Cl<1>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.3727	0.199	4	111.0255	0.119	16	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8211	0.339	8	111.0255	0.119	16	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,4|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1655	0.008	2	111.1655	0.000	2	111.0372	0.072	33	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>}	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4050	0.140	4	110.5752	0.081	6	110.5752	0.081	6	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<4>,1|C<3>,1|C<4>}	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9155	0.006	2	110.5752	0.081	6	110.5752	0.081	6	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH){1|Ge<2>,1|C<3>,1|P<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7422	0.184	4	110.7422	0.034	4	110.7422	0.104	39	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.4943	0.153	10	110.4943	0.024	10	110.7422	0.104	39	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.8773	0.336	4	110.8773	0.113	4	110.7422	0.104	39	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.6730	0.052	2	110.6730	0.003	2	110.7422	0.104	39	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.1943	0.194	3	110.1943	0.038	3	110.7422	0.104	39	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2{2|N<2>}	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3){2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	110.9746	0.226	16	110.9746	0.051	16	110.7422	0.104	39	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2{2|C<4>,2|P<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7599	0.415	92	110.7599	0.173	92	110.8174	0.161	116	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](P[6]N[6]2Cl)(C[5]C[5]HH)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<2>,4|H<1>}	N[5](P[6]N[6]2Cl)(C[5]C[5]HH)2{2|P<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0378	0.243	24	111.0378	0.059	24	110.8174	0.161	116	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:	C[5]-4:	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2	N[5](Si[5]N[5]Cl2)(C[5]C[5]HH)(SiC3)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>}	N[5](Si[5]N[5]Cl2)(C[5]C[5]HH)(SiC3){1|Si<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5780	0.945	2	110.5780	0.892	2	110.5780	0.892	2	110.8606	0.296	356	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	5:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	Ge[4,5,5]-5:C[5]-4:Si-4:	C[5]-4:	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3)	H(C[5]C[5]N[5]H)	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2{1|Cl<1>,1|Ge<5>,1|C<4>,1|N<3>,1|N<4>}	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3){1|Ge<5>,1|Si<4>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	109.9027	0.131	4	109.9027	0.017	4	109.9027	0.017	4	109.9027	0.017	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:1:1:	6:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	In[3x5]-6:C[5]-4:H-1:	C[5]-4:	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2	N[5](In[3x5]Se[5]2N[5]3)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2{2|Se<2>,1|H<1>,2|N<3>}	N[5](In[3x5]Se[5]2N[5]3)(C[5]C[5]HH)(H){1|As<3>,1|Se<2>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	109.5649	0.453	8	109.5649	0.205	8	109.5649	0.205	8	109.5649	0.205	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:2:1:	3:4:4:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]O)	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:2:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:2:1:	4:4:4:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]N[5]O[5]C)	109.6760	0.000	1	109.6760	0.000	1	109.6785	0.000	2	109.7313	0.008	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:2:1:	4:4:4:	4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]N[5]O[5]C)	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]N[5]O[5]C)	109.6810	0.000	1	109.6810	0.000	1	109.6785	0.000	2	109.7313	0.008	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:2:1:	4:4:4:	4:	N[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]S[5]CH)(SC[6a]OO)	H(C[5]N[5]S[5]C)	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]N[5]S[5]C)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.7313	0.008	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH){1|H<1>,1|S<2>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	109.6780	1.635	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.9430	0.000	1	108.9430	0.000	1	109.6915	1.121	2	109.6780	1.635	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|Br<1>,1|C<3>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.4400	0.000	1	110.4400	0.000	1	109.6915	1.121	2	109.6780	1.635	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H){1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6]){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	111.3940	0.000	1	111.3940	0.000	1	110.3107	1.074	3	109.6780	1.635	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.7690	0.622	2	109.7690	0.387	2	110.3107	1.074	3	109.6780	1.635	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6955	0.073	2	108.6955	0.005	2	108.6955	0.005	2	109.1773	0.699	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:3:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	109.1773	0.699	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	108.3994	2.398	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,4|H<1>}	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	108.3994	2.398	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]C)	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	108.3994	2.398	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)	H(C[5]C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]N)	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	108.3994	2.398	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C[5]-4:P-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP)	H(C[5]C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]P)	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.3994	2.398	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	109.0694	0.346	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7465	0.298	2	109.7465	0.089	2	109.2668	0.284	5	109.0694	0.346	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9470	0.373	3	108.9470	0.139	3	109.2668	0.284	5	109.0694	0.346	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	109.0694	0.346	7	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0330	0.000	1	109.0330	0.000	1	109.2685	0.111	2	109.2685	0.111	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5040	0.000	1	109.5040	0.000	1	109.2685	0.111	2	109.2685	0.111	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7290	0.000	1	109.7290	0.000	1	109.5520	0.063	2	109.5972	0.330	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3750	0.000	1	109.3750	0.000	1	109.5520	0.063	2	109.5972	0.330	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0280	0.383	2	109.0280	0.147	2	109.6197	0.527	4	109.5972	0.330	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0820	0.000	1	110.0820	0.000	1	109.6197	0.527	4	109.5972	0.330	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:2:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3410	0.000	1	110.3410	0.000	1	109.6197	0.527	4	109.5972	0.330	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5245	0.035	2	109.5990	0.017	3	109.5990	0.017	3	109.5015	0.050	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7480	0.000	1	109.5990	0.017	3	109.5990	0.017	3	109.5015	0.050	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	109.5015	0.050	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:2:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5,6a]C[5]N[5])	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	109.1597	1.092	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9150	0.000	1	109.9150	0.000	1	109.7450	0.058	2	109.1597	1.092	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO){1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5750	0.000	1	109.5750	0.000	1	109.7450	0.058	2	109.1597	1.092	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.1597	1.092	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.1597	1.092	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.1597	1.092	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H)	N[5](C[5]C[5,6a]C[5]H)(S[5]C[5,6a]OO)(H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5]C[5,6a]C[5]H)(S[5]C[5,6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]N[5])	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[6]N[5]2)	110.1045	0.037	2	110.1045	0.001	2	109.5825	0.424	4	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[6]N[5]2)	109.0605	0.426	2	109.0605	0.182	2	109.5825	0.424	4	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1080	0.000	1	108.1080	0.000	1	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|Si<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1830	0.000	1	108.1830	0.000	1	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5430	0.000	1	108.7179	0.613	7	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.1610	0.000	1	108.7179	0.613	7	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8190	0.377	4	108.7179	0.613	7	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0450	0.000	1	108.7179	0.613	7	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.9700	0.000	1	108.4766	3.294	11	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	113.5320	0.000	1	108.4766	3.294	11	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	107.8910	0.000	1	108.4766	3.294	11	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|C<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9950	0.000	1	108.4766	3.294	11	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.6050	0.000	1	108.4766	3.294	11	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2083	0.819	6	108.4766	3.294	11	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	106.7710	0.000	1	106.7710	0.000	1	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5350	0.000	1	109.5350	0.000	1	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)2(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)2(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0460	0.338	3	109.0460	0.114	3	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2040	0.000	1	108.0950	0.054	5	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[6a]C[5]N[5])	108.2010	0.000	1	108.0950	0.054	5	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8170	0.000	1	108.0950	0.054	5	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1265	0.336	2	108.0950	0.054	5	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|S<4>}	H(C[5]C[6a]C[5]N[5])	109.2950	0.000	1	109.2950	0.000	1	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0430	0.000	1	108.0430	0.000	1	108.4942	1.428	32	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	107.9540	0.130	2	108.0830	0.058	3	108.3855	0.405	4	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3410	0.000	1	108.0830	0.058	3	108.3855	0.405	4	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2930	0.000	1	109.2930	0.000	1	108.3855	0.405	4	108.5953	1.279	41	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:N[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5]){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.9661	0.157	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8460	0.000	1	108.8460	0.000	1	108.8374	0.084	8	108.9661	0.157	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2550	0.000	1	109.2550	0.000	1	108.8374	0.084	8	108.9661	0.157	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7663	0.277	6	108.7663	0.077	6	108.8374	0.084	8	108.9661	0.157	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC){1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	108.9661	0.157	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S-4:O[5]-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	108.9661	0.157	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO){1|Fe<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5]C[6]N[5]2)	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.7155	0.373	2	107.7155	0.139	2	108.4390	0.535	5	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0230	0.000	1	109.0230	0.000	1	108.4390	0.535	5	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2180	0.000	1	109.2180	0.000	1	108.4390	0.535	5	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5230	0.000	1	108.5230	0.000	1	108.4390	0.535	5	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5]C[6a]C[5]H)2(NCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(NCH){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2455	0.152	2	109.2455	0.023	2	109.6578	0.283	6	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5]C[6a]C[5]H)2(NPdC)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(NPdC){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8640	0.542	4	109.8640	0.294	4	109.6578	0.283	6	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]O){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4140	0.695	5	109.4140	0.483	5	109.5184	0.275	9	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7050	0.233	3	109.7050	0.054	3	109.5184	0.275	9	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SCO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SCO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4810	0.000	1	109.4810	0.000	1	109.5184	0.275	9	109.3531	0.616	21	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:Ga[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H)	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H){1|Ga<4>,1|C<4>,1|H<1>,1|N<3>,2|I<1>,3|C<3>}	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]N[5])	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]2N[5])	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|Si<5>,2|C<4>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SCOO){1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO)	H(C[5]C[5,6]C[5a]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	H(C[5]C[5,6]C[5a]N[5])	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH){3|C<3>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	109.0900	0.000	1	109.0900	0.000	1	108.5935	0.493	2	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	108.0970	0.000	1	108.0970	0.000	1	108.5935	0.493	2	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	108.3540	0.000	1	108.9855	0.798	2	108.9855	0.798	2	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.6170	0.000	1	108.9855	0.798	2	108.9855	0.798	2	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[5a]C[5]H)2(SC[6a]OO)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)2(SC[6a]OO){2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	106.8435	1.460	4	106.8435	2.132	4	106.8435	2.132	4	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4530	0.000	1	109.4530	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CCCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(CCCH){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6220	0.000	1	108.6220	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6240	0.000	1	108.6240	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<2>,2|C<3>,2|F<1>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3){2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4690	0.000	1	109.4690	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1910	0.000	1	109.1910	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|I<1>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|I<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4720	0.000	1	109.4720	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CCCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(CCCH){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5470	0.000	1	109.5470	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2945	2.027	2	108.2370	2.065	3	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1220	0.000	1	108.2370	2.065	3	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0850	0.000	1	110.0850	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[6a]C[5]N[5])	107.3570	0.000	1	107.3570	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9580	0.000	1	109.2370	0.156	2	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5160	0.000	1	109.2370	0.156	2	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2980	0.000	1	109.2980	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH){2|C<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2253	0.416	3	109.2253	0.173	3	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH){2|C<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4010	0.000	1	109.4010	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3){2|C<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5880	0.000	1	109.5880	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6650	0.000	1	109.6650	0.000	1	109.0778	0.635	21	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7500	0.000	1	109.1690	0.351	2	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5880	0.000	1	109.1690	0.351	2	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5815	0.177	2	108.7150	0.277	5	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1210	0.642	2	108.7150	0.277	5	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1700	0.000	1	108.7150	0.277	5	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1950	0.000	1	109.4928	0.189	5	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4185	0.049	2	109.4928	0.189	5	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2160	0.310	2	109.4928	0.189	5	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7410	0.136	2	109.2693	0.847	3	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3260	0.000	1	109.2693	0.847	3	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9750	0.000	1	108.9750	0.000	1	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6070	0.000	1	108.6070	0.000	1	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1465	0.194	2	109.4027	0.216	3	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9150	0.000	1	109.4027	0.216	3	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9990	0.000	1	108.9990	0.000	1	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2870	0.000	1	110.3825	0.018	2	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4780	0.000	1	110.3825	0.018	2	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	111.5155	2.295	2	111.5155	5.265	2	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8790	0.000	1	108.8790	0.000	1	109.4096	0.972	26	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H)	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2950	0.000	1	109.2950	0.000	1	109.3970	0.021	2	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H)	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4990	0.000	1	109.4990	0.000	1	109.3970	0.021	2	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H)	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H){2|N<3>}	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]N[5]C)	109.7540	0.000	1	109.7540	0.000	1	109.7540	0.000	1	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH){1|C<2>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]C)	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){2|C<4>,8|H<1>}	H(C[5]C[5]N[5]C)	109.3324	0.343	5	109.3324	0.117	5	110.0012	2.777	6	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,2|N<3>,7|H<1>}	H(C[5]C[5]N[5]C)	113.3450	0.000	1	113.3450	0.000	1	110.0012	2.777	6	109.1565	1.319	68	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	3:4:2:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.8000	0.204	2	109.8000	0.041	2	109.8000	0.041	2	109.8000	0.041	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:B-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	H(C[5]C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]B)	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	108.8891	0.365	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]C)	108.8730	0.000	1	108.8730	0.000	1	109.0410	0.179	8	108.8891	0.365	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	109.6060	0.000	1	109.6060	0.000	1	109.0410	0.179	8	108.8891	0.365	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2{3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	109.2445	0.463	2	109.2445	0.215	2	109.0410	0.179	8	108.8891	0.365	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	108.8400	0.387	4	108.8400	0.150	4	109.0410	0.179	8	108.8891	0.365	9	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.3120	0.000	2	109.3120	0.000	2	109.5272	0.111	4	109.2583	2.367	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	110.0150	0.000	1	110.0150	0.000	1	109.5272	0.111	4	109.2583	2.367	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.4700	0.000	1	109.4700	0.000	1	109.5272	0.111	4	109.2583	2.367	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]Ga)	108.3640	0.000	1	108.3640	0.000	1	109.0814	5.711	5	109.2583	2.367	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]Ga)	109.2608	2.720	4	109.2608	7.401	4	109.0814	5.711	5	109.2583	2.367	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]Si)	109.2850	0.000	1	109.2850	0.000	1	109.1625	0.030	2	109.2583	2.367	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]Si)	109.0400	0.000	1	109.0400	0.000	1	109.1625	0.030	2	109.2583	2.367	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.9880	0.000	1	109.9880	0.000	1	109.6580	2.290	3	109.4044	1.278	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.0070	0.000	1	108.0070	0.000	1	109.6580	2.290	3	109.4044	1.278	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H){1|C<4>,1|O<2>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	110.9790	0.000	1	110.9790	0.000	1	109.6580	2.290	3	109.4044	1.278	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]CH)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	109.4044	1.278	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	P[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H)	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H){2|N<2>}	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H){2|H<1>,2|P<4>}	H(C[5]C[5]N[5]C)	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	109.4044	1.278	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5]N[5]C)	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	109.3734	1.456	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[5]C[5]CH)2(N[5]C[5]2)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5]N[5]C)	109.7043	0.222	4	109.4012	0.431	11	109.2212	1.225	13	109.3734	1.456	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[5]C[5]CH)2(N[5]C[5]2)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[5]N[5]C)	109.2280	0.773	7	109.4012	0.431	11	109.2212	1.225	13	109.3734	1.456	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]N[5]C)	108.2310	2.841	2	108.2310	8.072	2	109.2212	1.225	13	109.3734	1.456	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[5]N[5]C)	109.4760	0.000	1	109.0785	0.316	2	109.0785	0.316	2	108.2125	1.464	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	108.6810	0.000	1	109.0785	0.316	2	109.0785	0.316	2	108.2125	1.464	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	108.2125	1.464	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	Si[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H)	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3)	H(C[5]C[5]N[5]C)	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H){1|Si<4>,1|C<4>,1|N<3>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]C)	106.8600	0.112	2	106.8600	0.012	2	106.8600	0.012	2	108.2125	1.464	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C[5]-4:P-4:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	H(C[5]C[5]N[5]P)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]P)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	108.2125	1.464	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:4:1:	5:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	Si[3,3,5]-5:C[5]-4:C-4:	C[5]-4:	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H)	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3)	H(C[5]C[5]N[5]C)	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H){1|Si<5>,1|C<4>,2|O<2>}	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>,2|N<3>}	H(C[5]C[5]N[5]C)	108.8115	0.134	2	108.8115	0.018	2	108.8115	0.018	2	108.8115	0.018	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	3:4:5:1:	4:4:4:	4:	N[5]-3:C[5]-4:B-5:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(BLiCHH)(H)	N[5](C[6]C[6]2Li)(C[5]C[5]BH)(C[5]C[5]CC)	H(C[5]C[5]N[5]B)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(BLiCHH)(H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[6]C[6]2Li)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]B)	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pt<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pt<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0065	0.028	2	111.0065	0.001	2	111.0065	0.001	2	111.0065	0.001	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2{2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2542	0.027	4	111.2542	0.001	4	111.2542	0.001	4	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Fe<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	103.6975	5.160	2	109.9523	34.889	6	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Fe<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Fe<6>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	114.7340	4.417	2	109.9523	34.889	6	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Ru<9>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4255	0.013	2	109.9523	34.889	6	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5595	0.011	2	111.5595	0.000	2	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4623	0.043	3	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.6122	2.701	9	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Co<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3285	0.028	2	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Cu<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5580	0.007	2	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Os<9>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Os<9>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1755	0.063	2	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.8995	1.549	2	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Rh<8>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Rh<8>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3080	0.007	2	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3550	0.101	6	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Zn<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3003	0.038	4	111.3365	2.124	32	111.1400	6.419	40	111.1464	5.691	45	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2{3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN){1|Cl<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.2495	0.055	4	111.2495	0.003	4	111.2495	0.003	4	111.2495	0.003	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8890	0.007	2	110.8890	0.000	2	110.1346	0.753	7	110.5923	0.574	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7770	0.000	1	110.7770	0.000	1	110.1346	0.753	7	110.5923	0.574	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.5968	0.777	4	109.5968	0.604	4	110.1346	0.753	7	110.5923	0.574	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0697	0.033	4	111.0720	0.001	5	111.0500	0.002	7	110.5923	0.574	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0810	0.000	1	111.0720	0.001	5	111.0500	0.002	7	110.5923	0.574	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<3>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9950	0.013	2	110.9950	0.000	2	111.0500	0.002	7	110.5923	0.574	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.7810	0.057	3	110.7810	0.003	3	110.7810	0.003	3	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.6315	0.039	2	110.6315	0.002	2	110.6467	0.001	3	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.6770	0.000	1	110.6770	0.000	1	110.6467	0.001	3	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[4,5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2	N[5](C[4,5]C[4,5,6]C[4])(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[4,5]C[4,5,6]C[4])(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.0750	0.018	2	110.0750	0.000	2	110.0750	0.000	2	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.3471	0.076	10	111.3471	0.006	10	111.3471	0.006	10	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5,6,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.2755	0.013	2	111.2755	0.000	2	111.2755	0.000	2	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8362	0.040	5	110.8362	0.002	5	110.8469	0.002	7	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8735	0.042	2	110.8735	0.002	2	110.8469	0.002	7	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2200	0.008	2	111.2200	0.000	2	111.2200	0.000	2	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>}	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7780	0.024	2	110.7780	0.001	2	110.7780	0.001	2	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{4|C<3>}	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.4802	0.134	6	110.4802	0.018	6	110.5559	0.033	8	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<2>,3|C<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7830	0.045	2	110.7830	0.002	2	110.5559	0.033	8	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9755	0.016	2	110.9755	0.000	2	110.7563	0.177	11	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9095	0.174	4	110.9095	0.030	4	110.7563	0.177	11	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9140	0.183	3	110.9140	0.033	3	110.7563	0.177	11	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9940	0.430	2	109.9940	0.185	2	110.7563	0.177	11	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,2|C<3>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3235	0.018	2	111.3235	0.000	2	111.0367	0.247	3	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4630	0.000	1	110.4630	0.000	1	111.0367	0.247	3	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8475	0.008	2	110.8475	0.000	2	110.7845	0.092	13	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1985	0.056	2	111.1985	0.003	2	110.7845	0.092	13	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2385	0.025	2	110.6772	0.161	5	110.7845	0.092	13	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9697	0.012	3	110.6772	0.161	5	110.7845	0.092	13	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6980	0.042	2	110.6980	0.002	2	110.7845	0.092	13	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6625	0.059	2	110.6625	0.003	2	110.7845	0.092	13	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.6070	0.902	2	111.6070	0.814	2	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5470	0.027	2	110.5470	0.001	2	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7350	0.014	2	110.7049	0.007	12	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7488	0.085	6	110.7049	0.007	12	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6240	0.016	4	110.7049	0.007	12	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5665	0.025	2	110.5665	0.001	2	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.8280	3.905	2	109.8280	15.246	2	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9030	1.162	4	109.9030	1.350	4	110.5487	1.106	24	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	110.6870	0.834	4	110.6870	0.696	4	110.8428	0.476	6	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1545	0.009	2	111.1545	0.000	2	110.8428	0.476	6	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8145	0.008	2	110.8145	0.000	2	110.8145	0.000	2	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2210	0.000	1	111.2210	0.000	1	110.7597	0.071	9	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.4960	0.040	2	110.4960	0.002	2	110.7597	0.071	9	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|I<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|I<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6540	0.031	2	110.6540	0.001	2	110.7597	0.071	9	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|N<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6255	0.005	2	110.6255	0.000	2	110.7597	0.071	9	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SCOO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0325	0.070	2	111.0325	0.005	2	110.7597	0.071	9	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	H(C[5]C[5]N[5]H)	110.1320	0.077	5	110.1320	0.006	5	110.2809	0.085	15	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<6>}	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(C[5]C[5]N[5]H)	110.4190	0.247	6	110.4190	0.061	6	110.2809	0.085	15	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>}	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2600	0.459	4	110.2600	0.211	4	110.2809	0.085	15	110.7161	0.360	122	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:2:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.6415	0.023	2	110.6415	0.001	2	110.6415	0.001	2	110.8950	0.086	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:2:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<2>}	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C){1|C<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1485	0.037	2	111.1485	0.001	2	111.1485	0.001	2	110.8950	0.086	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:2:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2{1|H<1>,4|C<3>}	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3){3|C<3>}	H(C[5]C[5,5]N[5]H)	111.1925	0.005	2	111.1925	0.000	2	111.1925	0.000	2	111.1981	0.412	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:2:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.4245	0.052	2	111.4245	0.003	2	111.6683	0.083	4	111.1981	0.412	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:2:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.9120	0.093	2	111.9120	0.009	2	111.6683	0.083	4	111.1981	0.412	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.2635	0.050	2	110.2635	0.003	2	110.2635	0.003	2	111.1981	0.412	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2{1|Cl<1>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.0775	0.043	2	111.0775	0.002	2	111.0775	0.002	2	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5190	0.300	2	111.5190	0.090	2	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4160	0.008	2	110.5506	2.627	7	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3797	0.123	3	110.5506	2.627	7	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){2|H<1>}	H(C[5]C[5]N[5]H)	108.4415	1.809	2	110.5506	2.627	7	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2300	0.000	1	111.3433	0.235	15	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.5940	0.055	3	111.3433	0.235	15	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.0680	0.800	5	111.3433	0.235	15	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.5150	0.006	2	111.3433	0.235	15	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.4420	0.124	4	111.3433	0.235	15	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.4435	0.015	2	109.7040	5.140	4	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|O<2>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]H)	107.9645	1.821	2	109.7040	5.140	4	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<3>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	H(C[5]C[5]N[5]H)	111.3690	0.024	2	111.3690	0.001	2	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.4955	0.059	2	111.4768	0.697	12	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]O[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	111.4731	0.923	10	111.4768	0.697	12	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(H){2|H<1>}	H(C[5]C[5]N[5]H)	110.5200	0.014	2	110.5200	0.000	2	111.0763	1.299	44	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2	N[5](C[5]C[5]HH)(N[5]S[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2{1|C<3>,2|O<1>}	N[5](C[5]C[5]HH)(N[5]S[5]C)(H){1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5]N[5]H)	110.1030	0.078	2	110.1030	0.006	2	110.1030	0.006	2	111.0358	1.228	48	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.1465	0.028	2	111.1465	0.001	2	111.1465	0.001	2	111.1988	0.044	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(OC)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.3975	0.059	2	111.3975	0.003	2	111.3975	0.003	2	111.1988	0.044	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-2:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(SN)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(SN){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9060	0.000	1	110.9060	0.000	1	110.9060	0.000	1	111.1988	0.044	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O)	H(C[5]C[3,5,5]N[5]H)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2{1|Si<4>,3|C<4>,3|H<1>}	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O){4|C<4>}	H(C[5]C[3,5,5]N[5]H)	111.4550	0.021	2	111.4550	0.000	2	111.4550	0.000	2	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:C[5]-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(CC[3]C[6])(C[5]O[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(CC[3]C[6])(C[5]O[5]O){2|H<1>}	H(C[5]C[5]N[5]H)	111.6620	0.007	2	111.6620	0.000	2	111.6620	0.000	2	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CBrC)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CBrC){2|H<1>}	H(C[5]C[5]N[5]H)	111.8555	0.011	2	111.8555	0.000	2	111.4256	0.743	14	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]H)	111.6835	0.013	2	111.6835	0.000	2	111.4256	0.743	14	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H){2|H<1>}	H(C[5]C[5]N[5]H)	111.6357	0.928	6	111.6357	0.862	6	111.4256	0.743	14	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CClC)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CClC){2|H<1>}	H(C[5]C[5]N[5]H)	111.6090	0.010	2	111.6090	0.000	2	111.4256	0.743	14	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	N[5](C[5]C[5]HH)(C[5]S[5]O)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]H)	109.9245	0.073	2	109.9245	0.005	2	111.4256	0.743	14	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	108.0323	1.195	4	108.0323	1.429	4	109.2454	5.080	10	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	109.4085	2.979	4	109.4085	8.874	4	109.2454	5.080	10	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>,1|S<4>}	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3455	0.019	2	111.3455	0.000	2	109.2454	5.080	10	110.6660	3.217	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]H)	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2{1|N<4>,2|C<3>,7|H<1>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	H(C[5]C[3,5]N[5]H)	111.2120	0.040	2	111.2120	0.002	2	111.2120	0.002	2	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.3330	0.011	2	111.3330	0.000	2	111.3635	0.001	4	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	H(C[5]C[5,5]N[5]H)	111.3940	0.013	2	111.3940	0.000	2	111.3635	0.001	4	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	111.2105	0.029	2	111.2105	0.001	2	111.2105	0.001	2	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH){1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.1480	0.044	2	111.1480	0.002	2	111.1985	0.004	4	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Rh)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Rh)(CC[6a]HH){1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.2490	0.004	2	111.2490	0.000	2	111.1985	0.004	4	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	107.1255	2.658	2	107.1255	7.065	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	110.9405	0.009	2	110.9405	0.000	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.6665	0.025	2	111.6665	0.001	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ga<4>,1|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4310	0.066	2	111.4310	0.004	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5470	0.103	4	110.5470	0.011	4	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9800	0.000	1	110.9800	0.000	1	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0905	0.050	2	111.0905	0.003	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2849	0.156	32	111.2417	0.037	63	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1971	0.216	31	111.2417	0.037	63	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<2>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.8470	0.100	2	111.8470	0.010	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3285	0.018	2	111.3285	0.000	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.6200	0.008	2	111.6200	0.000	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	H(C[5]C[5]N[5]H)	111.3150	0.023	2	111.3150	0.001	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1440	0.017	2	111.1440	0.000	2	111.1410	0.530	88	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0140	0.016	2	110.7400	0.100	4	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.4660	0.018	2	110.7400	0.100	4	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6590	0.000	1	110.6590	0.000	1	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2{1|N<3>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(SC[6a]OO){2|C<3>}	H(C[5]C[5]N[5]H)	111.2290	0.040	2	111.2290	0.002	2	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(SCOO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.7230	0.000	1	111.7230	0.000	1	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(SC[6a]OO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3183	0.014	3	111.3183	0.000	3	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]C)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2{1|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]C)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9965	0.057	2	110.9965	0.003	2	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.3250	0.033	2	110.3250	0.001	2	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|N<2>}	N[5](C[5]C[5]HH)(C[5]S[5]N)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]H)	110.4305	0.067	2	110.4305	0.005	2	110.8976	0.188	17	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.5310	0.000	1	110.5310	0.000	1	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4942	0.140	4	110.4961	0.047	10	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4973	0.270	6	110.4961	0.047	10	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5575	0.035	2	110.5575	0.001	2	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7190	0.000	1	110.7190	0.000	1	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7241	0.088	7	110.7241	0.008	7	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4375	0.068	4	110.4375	0.005	4	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4528	0.157	4	110.4528	0.025	4	110.5502	0.033	29	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>}	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4680	0.016	2	110.4680	0.000	2	110.4680	0.000	2	110.9969	0.401	149	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.4700	0.000	1	110.4700	0.000	1	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	110.7955	0.022	2	110.7955	0.000	2	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)2(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(H){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.3955	0.042	2	110.3567	0.005	3	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)2(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)2(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.2790	0.000	1	110.3567	0.005	3	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)2(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>,4|H<1>}	N[5](C[5]C[5,5]HH)2(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.6585	0.016	2	110.6585	0.000	2	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)2(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2{2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,5]HH)2(H){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.1805	0.005	2	110.1805	0.000	2	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.4485	0.026	2	110.4485	0.001	2	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.3620	0.027	2	110.3620	0.001	2	110.4593	0.040	14	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8405	0.019	4	110.8405	0.000	4	110.7844	0.226	8	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|B<4>,1|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7283	0.720	4	110.7283	0.518	4	110.7844	0.226	8	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|H<1>,1|S<2>,2|C<4>}	N[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|S<2>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.5370	0.054	2	110.5370	0.003	2	109.6626	2.941	11	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5]N[5]H)	110.1895	0.018	2	110.1895	0.000	2	109.6626	2.941	11	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.3135	0.023	2	110.3135	0.001	2	109.6626	2.941	11	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.1115	0.883	2	108.8418	5.778	5	109.6626	2.941	11	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	107.9953	2.912	3	108.8418	5.778	5	109.6626	2.941	11	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5440	0.007	2	110.5440	0.000	2	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){2|F<1>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0730	0.236	4	111.0730	0.056	4	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]H)	111.2955	0.035	2	111.2955	0.001	2	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]H)	110.6702	0.582	13	110.6817	0.290	19	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]H)	110.7068	0.480	6	110.6817	0.290	19	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)2(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(H){4|H<1>}	H(C[5]C[5]N[5]H)	110.4787	0.804	55	110.4787	0.646	55	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Si<4>,3|H<1>}	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]H)	106.3415	0.651	2	106.3415	0.424	2	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2940	0.016	2	111.2940	0.000	2	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5978	0.060	4	110.4817	0.023	7	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.3270	0.037	3	110.4817	0.023	7	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4232	0.067	4	110.3946	0.005	8	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3660	0.068	4	110.3946	0.005	8	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1923	0.275	4	111.1923	0.075	4	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4787	0.143	10	110.4787	0.020	10	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]S[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]S[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<2>,3|H<1>}	H(C[5]C[5]N[5]H)	108.0835	2.201	2	108.0835	4.845	2	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]S[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6]S[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.0240	0.040	2	110.0240	0.002	2	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.6810	0.055	2	109.6810	0.003	2	110.4478	0.837	121	110.4103	0.911	154	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]H)	111.2897	0.184	8	111.2897	0.034	8	111.2897	0.034	8	110.6172	9.273	19	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	H(C[5]C[5]N[5]H)	104.8752	9.117	2	104.8752	83.121	2	109.2031	22.595	7	110.6172	9.273	19	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6]){4|H<1>}	H(C[5]C[5]N[5]H)	110.9465	0.016	2	110.9465	0.000	2	109.2031	22.595	7	110.6172	9.273	19	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	H(C[5]C[5]N[5]H)	110.9260	0.050	3	110.9260	0.002	3	109.2031	22.595	7	110.6172	9.273	19	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH){4|H<1>}	H(C[5]C[5]N[5]H)	113.1395	0.784	2	113.1395	0.615	2	113.1395	0.615	2	110.6172	9.273	19	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]N[5]H)	110.3545	0.073	2	110.3545	0.005	2	110.3545	0.005	2	110.6172	9.273	19	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	111.0010	0.013	2	111.0010	0.000	2	111.0975	0.013	4	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[3,5]N[5]H)	111.1940	0.037	2	111.1940	0.001	2	111.0975	0.013	4	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2	N[5](C[5]C[5,5]HH)2(NCH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5,5]HH)2(NCH){2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.8995	0.155	11	110.8995	0.024	11	110.8995	0.024	11	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.8660	0.024	2	110.8660	0.001	2	110.8660	0.001	2	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	108.9860	2.591	5	108.9860	6.711	5	108.9860	6.711	5	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0790	0.016	2	111.0790	0.000	2	111.0790	0.000	2	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4745	0.011	2	111.4745	0.000	2	111.4745	0.000	2	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0610	0.013	2	111.0610	0.000	2	110.5978	0.366	8	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6880	0.008	2	110.6880	0.000	2	110.5978	0.366	8	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.6525	0.139	2	110.3210	0.603	4	110.5978	0.366	8	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9895	0.026	2	110.3210	0.603	4	110.5978	0.366	8	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCO){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1593	0.054	4	111.1593	0.003	4	111.1593	0.003	4	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2047	0.025	3	111.2047	0.001	3	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7265	0.015	2	110.7265	0.000	2	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	H(C[5]C[5]N[5]H)	111.5715	0.607	2	111.5715	0.369	2	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]O){4|H<1>}	H(C[5]C[5]N[5]H)	110.9748	0.020	4	110.9748	0.000	4	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	H(C[5]C[5]N[5]H)	109.7075	2.273	4	109.7075	5.166	4	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1740	0.071	8	111.1156	0.019	10	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]H)	110.8820	0.011	2	111.1156	0.019	10	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	H(C[5]C[5]N[5]H)	111.0065	0.040	4	111.0065	0.002	4	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]Rh)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CN[5]Rh){4|H<1>}	H(C[5]C[5]N[5]H)	109.8475	1.582	8	109.8475	2.502	8	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9945	0.011	2	110.9945	0.000	2	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2455	0.091	2	111.2455	0.008	2	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8505	0.086	2	110.8505	0.007	2	110.7228	1.162	43	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC){4|H<1>}	H(C[5]C[5]N[5]H)	111.4890	0.028	2	111.4890	0.001	2	111.6392	0.015	6	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NPdC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NPdC){4|H<1>}	H(C[5]C[5]N[5]H)	111.7142	0.038	4	111.7142	0.001	4	111.6392	0.015	6	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-3:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2	N[5](C[5]C[5]RuH)(C[5]C[5]HH)(PCC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2{1|Ru<9>,1|C<4>,1|H<1>}	N[5](C[5]C[5]RuH)(C[5]C[5]HH)(PCC){1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	110.3640	0.020	2	110.3640	0.000	2	110.3640	0.000	2	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8402	0.124	5	110.8402	0.015	5	110.8402	0.015	5	110.7587	1.099	94	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3,5]N[5]H)	109.2630	3.086	2	109.2630	9.522	2	109.2630	9.522	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.7675	1.894	2	110.6718	1.209	4	110.8197	0.778	6	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|C<4>,3|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]N[5]H)	110.5760	0.020	2	110.6718	1.209	4	110.8197	0.778	6	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[3,5]N[5]H)	111.1155	0.025	2	111.1155	0.001	2	110.8197	0.778	6	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)2(CH3)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(CH3){1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.8115	0.196	4	110.8115	0.038	4	110.9458	0.067	6	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5]N[5]H)	111.2145	0.049	2	111.2145	0.002	2	110.9458	0.067	6	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2{4|C<4>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	H(C[5]C[3,5]N[5]H)	110.9832	0.126	4	110.9832	0.016	4	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|H<1>,2|C<4>}	H(C[5]C[3,5]N[5]H)	111.2439	0.069	8	111.2439	0.005	8	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.0490	0.033	2	111.0490	0.001	2	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SCOO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	N[5](C[5]C[3,5]HH)2(SCOO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.1770	0.011	2	111.1770	0.000	2	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.2742	0.034	4	111.1644	0.013	22	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.0640	0.014	2	111.1644	0.013	22	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	H(C[5]C[3,5]N[5]H)	111.1775	0.108	12	111.1644	0.013	22	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	110.9755	0.012	2	111.1644	0.013	22	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.1550	0.049	2	111.1644	0.013	22	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	111.0335	0.008	2	111.0335	0.000	2	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SCOO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SCOO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.1655	0.023	2	111.1655	0.001	2	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<2>,2|C<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	110.9755	0.008	2	111.2372	0.038	20	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.3820	0.008	2	111.2372	0.038	20	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|H<1>,2|C<4>}	H(C[5]C[3,5]N[5]H)	111.3746	0.078	8	111.2372	0.038	20	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.2630	0.031	2	111.2372	0.038	20	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	111.0845	0.199	6	111.2372	0.038	20	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2{3|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]N[5]H)	110.7015	0.025	2	110.7015	0.001	2	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]H)	110.9690	0.048	2	110.9690	0.002	2	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|O<2>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.9172	0.112	4	111.0132	0.030	6	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]H)	111.2050	0.013	2	111.0132	0.030	6	111.1460	0.031	72	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SCOO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SCOO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[3x5,6]N[5]H)	111.1355	0.009	2	111.1355	0.000	2	111.0491	0.018	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[3x5,6]N[5]H)	111.0140	0.028	2	111.0068	0.014	14	111.0491	0.018	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3x5,6]N[5]H)	111.0570	0.021	3	111.0068	0.014	14	111.0491	0.018	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[3x5,6]N[5]H)	111.0885	0.015	2	111.0068	0.014	14	111.0491	0.018	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|O<2>,3|C<3>}	H(C[5]C[3x5,6]N[5]H)	111.0272	0.096	4	111.0068	0.014	14	111.0491	0.018	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[3x5,6]N[5]H)	110.8700	0.189	3	111.0068	0.014	14	111.0491	0.018	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[3x5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[3x5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	H(C[5]C[3x5,6]N[5]H)	111.2590	0.025	2	111.2590	0.001	2	111.0491	0.018	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]N[5]H)	110.5190	0.038	2	110.5190	0.001	2	110.5110	0.003	6	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]N[5]H)	110.5070	0.060	4	110.5070	0.004	4	110.5110	0.003	6	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH)	H(C[5]C[4,5,5]N[5]H)	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,2|F<1>,4|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH){1|F<1>,3|C<4>}	H(C[5]C[4,5,5]N[5]H)	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO)	H(C[5]C[4,5,5]N[5]H)	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5,5]N[5]H)	111.6120	0.031	2	111.6120	0.001	2	111.6120	0.001	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH){1|F<1>,3|C<4>}	H(C[5]C[4,5]N[5]H)	111.1930	0.000	1	111.1930	0.000	1	110.7854	1.264	11	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2	N[5](C[5]C[4,5]HH)2(CC[6a]HH)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	N[5](C[5]C[4,5]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	H(C[5]C[4,5]N[5]H)	110.8170	0.670	8	110.8170	0.449	8	110.7854	1.264	11	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[4,5]N[5]H)	110.4550	3.017	2	110.4550	9.099	2	110.7854	1.264	11	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]N[5]H)	111.1135	0.006	2	111.1135	0.000	2	111.1383	0.019	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]N[5]H)	111.2078	0.098	8	111.1414	0.021	16	111.1383	0.019	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]N[5]H)	111.0580	0.011	2	111.1414	0.021	16	111.1383	0.019	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]N[5]H)	111.0807	0.189	6	111.1414	0.021	16	111.1383	0.019	18	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,3x6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(SC[6a]OO)	H(C[5]C[5,3x6]N[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,3x6]N[5]H)	110.8370	0.997	2	110.8370	0.994	2	110.8370	0.994	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|H<1>,7|C<3>}	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH){4|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	111.1330	0.000	1	111.1330	0.000	1	111.1608	0.052	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	111.0232	0.049	5	111.0232	0.002	5	111.1608	0.052	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6,6]HH)2(CC[6a]3)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{2|H<1>,6|C<3>}	N[5](C[5]C[5,5,6,6]HH)2(CC[6a]3){4|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	111.5185	0.043	2	111.5185	0.002	2	111.1608	0.052	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2{5|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3){1|H<1>,3|C<4>}	H(C[5]C[5,5,6]N[5]H)	110.4750	0.016	2	110.4750	0.000	2	110.4750	0.000	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SCOO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SCOO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]N[5]H)	111.2790	0.018	2	111.2790	0.000	2	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]N[5]H)	110.9450	0.068	2	110.9450	0.005	2	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]C[6a]H)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[3x5,6]C[6a]H)(C[5]C[5,5,6]HH)(SC[6a]OO){1|O<2>,5|C<3>}	H(C[5]C[5,5,6]N[5]H)	111.1995	0.009	2	111.1995	0.000	2	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|O<2>,3|C<3>}	H(C[5]C[5,5,6]N[5]H)	110.8593	0.065	4	110.8593	0.004	4	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]N[5]H)	110.7117	0.093	4	110.7117	0.009	4	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]N[5]H)	111.5030	0.097	3	111.3910	0.028	5	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5,6]N[5]H)	111.2230	0.014	2	111.3910	0.028	5	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,5,6]N[5]H)	111.0015	0.008	2	111.0015	0.000	2	111.0519	0.076	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]HH)(SCOO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]HH)(SCOO){2|C<4>,4|C<3>}	H(C[5]C[5,5]N[5]H)	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.9395	0.016	2	110.9395	0.000	2	111.0198	0.009	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.1000	0.010	2	111.1000	0.000	2	111.0198	0.009	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){1|C<3>,1|N<2>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.1770	0.020	2	111.1770	0.000	2	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)2(CH3){2|C<3>,2|F<1>}	H(C[5]C[5,5]N[5]H)	111.5480	0.150	3	111.5480	0.023	3	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.9907	0.147	4	110.9907	0.021	4	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	109.4850	2.445	4	109.8175	4.041	6	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|S<4>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.4825	0.969	2	109.8175	4.041	6	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)2(CH3){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.9435	0.499	4	110.9435	0.249	4	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]H)	111.4305	0.657	2	111.4305	0.432	2	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[5]C[5,5]N[5]H)	111.5850	0.040	2	112.5871	1.097	8	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	112.9212	1.000	6	112.5871	1.097	8	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2{1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[5]C[5,5]N[5]H)	111.2705	0.021	2	111.2705	0.000	2	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.0890	0.010	2	111.0890	0.000	2	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){2|C<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.5223	0.184	6	110.6790	0.111	10	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	110.9140	0.391	4	110.6790	0.111	10	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3){2|C<2>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.3450	0.087	8	110.3450	0.008	8	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.9750	0.000	1	110.9750	0.000	1	111.0085	1.269	52	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.7643	0.069	4	111.5309	0.048	13	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.4777	0.017	3	111.5309	0.048	13	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.2195	0.013	2	111.5309	0.048	13	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.6750	0.049	2	111.5309	0.048	13	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.3115	0.023	2	111.5309	0.048	13	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.1290	0.085	2	110.8121	0.089	15	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.7633	0.289	13	110.8121	0.089	15	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	111.0240	0.033	2	111.0240	0.001	2	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(SCOO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(SCOO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.9140	0.008	2	110.9140	0.000	2	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]N[5]H)	110.8700	0.000	1	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.3925	0.023	2	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.2653	0.268	15	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.3290	0.000	1	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.6685	0.021	2	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.2088	0.089	5	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.3630	0.000	1	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.2935	0.049	2	111.2171	0.068	29	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.1791	0.156	12	111.1791	0.024	12	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.1653	0.121	4	111.1653	0.015	4	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.1095	0.049	2	111.2800	0.040	4	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]N[5]H)	111.4505	0.022	2	111.2800	0.040	4	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2{3|H<1>,4|C<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.9630	0.034	4	110.9630	0.001	4	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.9835	0.009	2	110.9835	0.000	2	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SCOO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.6730	0.008	2	110.6730	0.000	2	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.3550	0.008	2	111.3550	0.000	2	111.1545	0.098	91	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]N[5]H)	110.4490	0.018	2	110.4490	0.000	2	110.4490	0.000	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6,6]HH)2(CCHH)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6,6]HH)2(CCHH){2|C<4>,2|H<1>}	H(C[5]C[5,6,6]N[5]H)	111.1035	0.083	4	111.1035	0.007	4	111.0340	0.009	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6,6]HH)2(CC[6a]HH)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6,6]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	H(C[5]C[5,6,6]N[5]H)	110.9645	0.045	4	110.9645	0.002	4	111.0340	0.009	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6,6]HH)2(C[6]C[6]2Ru)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2{1|Ru<11>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6,6]HH)2(C[6]C[6]2Ru){4|C<4>,4|H<1>}	H(C[5]C[5,6,6]N[5]H)	110.5787	0.042	3	110.5787	0.002	3	110.5787	0.002	3	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2{1|N<2>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]N[5]H)	110.5480	0.011	2	110.5480	0.000	2	110.7722	0.067	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6]N[5]H)	110.9965	0.006	2	110.9965	0.000	2	110.7722	0.067	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH){1|C<3>,5|C<4>}	H(C[5]C[5,6]N[5]H)	110.3935	0.033	2	110.3935	0.001	2	110.3935	0.001	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2{3|H<1>,4|C<4>}	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|H<1>,6|C<4>}	H(C[5]C[5,6]N[5]H)	110.6970	0.059	2	110.6970	0.004	2	110.9537	0.089	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2	N[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2{1|C<3>,1|H<1>,4|C<4>}	N[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.2105	0.016	2	111.2105	0.000	2	110.9537	0.089	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]N[5]H)	110.4017	0.025	4	110.4017	0.001	4	110.5664	0.018	13	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|Br<1>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.5460	0.017	2	110.5460	0.000	2	110.5664	0.018	13	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.6663	0.072	7	110.6663	0.005	7	110.5664	0.018	13	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6,6]C[3x6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6,6]C[3x6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]N[5]H)	110.5030	0.166	5	110.5030	0.028	5	110.8405	0.138	16	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.3980	0.033	2	111.3980	0.001	2	110.8405	0.138	16	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|N<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.0190	0.000	1	111.0190	0.000	1	110.8405	0.138	16	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.5320	0.017	2	110.6520	0.020	4	110.8405	0.138	16	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.7720	0.030	2	110.6520	0.020	4	110.8405	0.138	16	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.1275	0.261	4	111.1275	0.068	4	110.8405	0.138	16	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2{3|H<1>,4|C<4>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH){1|H<1>,3|C<4>}	H(C[5]C[5,6]N[5]H)	110.7710	0.017	2	110.7710	0.000	2	110.7720	0.000	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	110.7730	0.013	2	110.7730	0.000	2	110.7720	0.000	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.7920	0.030	2	110.7920	0.001	2	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3265	0.060	2	111.1404	0.068	5	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3340	0.000	1	111.1404	0.068	5	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.8575	0.011	2	111.1404	0.068	5	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.8260	0.027	4	110.8260	0.001	4	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	110.8017	0.041	3	111.2777	0.175	8	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.7585	0.039	2	111.2777	0.175	8	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.4333	0.052	3	111.2777	0.175	8	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3645	0.051	4	111.2704	0.037	35	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3977	0.151	10	111.2704	0.037	35	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9300	0.484	2	111.2704	0.037	35	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.5310	0.018	2	111.2704	0.037	35	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.1914	0.084	14	111.2704	0.037	35	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.1430	0.024	3	111.2704	0.037	35	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.5740	0.045	2	111.3735	0.063	6	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	111.2732	0.252	4	111.3735	0.063	6	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.0100	0.016	2	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.0824	0.314	10	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.0790	0.273	3	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3515	0.201	6	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.1854	0.210	14	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.1695	0.011	2	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.4460	0.978	6	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	111.4000	0.045	2	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.1141	0.278	7	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.8680	0.040	4	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3513	0.104	3	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.4165	0.018	2	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]H)	110.9153	0.045	4	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5,6]N[5]H)	111.3003	0.184	3	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]N[5]H)	110.9106	1.246	9	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9137	0.053	3	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.6135	1.133	8	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.4627	0.333	6	111.1164	0.371	94	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{3|C<4>,7|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.6010	0.035	2	110.6010	0.001	2	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5,6]N[5]H)	111.0675	0.354	6	111.2109	0.106	10	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	111.4260	0.068	4	111.2109	0.106	10	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9127	0.235	6	110.9127	0.055	6	111.1468	0.242	172	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2{2|C<3>,2|C<4>}	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.4920	0.021	2	110.4920	0.000	2	110.4920	0.000	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5]N[5]H)	109.5657	1.509	6	109.5657	2.276	6	110.4843	0.986	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(C[5]C[5]N[5]H)	110.7537	0.082	3	110.7266	0.005	5	110.4843	0.986	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[5]C[5]N[5]H)	110.6860	0.028	2	110.7266	0.005	5	110.4843	0.986	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5105	0.046	4	110.5105	0.002	4	110.4843	0.986	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1837	0.066	6	111.1837	0.004	6	110.4843	0.986	21	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2{1|C<4>,1|N<3>,2|C<3>}	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0555	0.011	2	111.0555	0.000	2	111.0555	0.000	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2{4|C<4>}	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	110.4160	0.011	2	110.4160	0.000	2	110.4160	0.000	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(SO3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(SO3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.2970	0.060	3	111.2970	0.004	3	111.2970	0.004	3	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8350	0.000	1	110.8350	0.000	1	110.9093	0.150	15	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	111.4377	0.017	4	111.4377	0.000	4	110.9093	0.150	15	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8178	0.090	8	110.8178	0.008	8	110.9093	0.150	15	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.2560	0.017	2	110.2560	0.000	2	110.9093	0.150	15	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1700	0.023	2	111.1700	0.001	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7760	0.021	2	110.7760	0.000	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|H<1>,3|C<3>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0405	0.013	2	111.0405	0.000	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2{4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8460	0.007	2	110.8460	0.000	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,1|S<2>,2|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7215	0.011	2	110.7215	0.000	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7045	0.085	15	110.6197	1.285	41	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.4570	1.617	20	110.6197	1.285	41	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5]N[5]H)	110.9502	0.256	6	110.6197	1.285	41	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2{1|Fe<10>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.3975	0.063	2	110.3975	0.004	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){3|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.8765	0.094	2	110.8765	0.009	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6493	0.075	15	110.6781	0.045	21	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.7503	0.393	6	110.6781	0.045	21	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8980	0.145	4	110.9930	0.060	68	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0289	0.050	7	110.9930	0.060	68	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|N<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1315	0.040	2	110.9930	0.060	68	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1274	0.141	40	110.9930	0.060	68	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.6105	0.157	11	110.9930	0.060	68	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5]N[5]H)	110.6642	0.175	4	110.9930	0.060	68	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7045	0.023	2	110.7045	0.001	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	112.0250	1.208	2	111.5074	0.204	12	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4039	0.127	10	111.5074	0.204	12	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0595	0.021	2	111.0595	0.000	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0333	0.403	10	111.0333	0.163	10	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(C[5]C[5]N[5]H)	111.5295	0.077	4	111.5295	0.006	4	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4225	0.032	2	111.1757	0.079	76	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1627	0.252	54	111.1757	0.079	76	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1859	0.358	20	111.1757	0.079	76	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2{4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6640	0.054	3	110.6640	0.003	3	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,1|S<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.3590	0.045	2	110.5517	0.051	4	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7445	0.049	2	110.5517	0.051	4	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0905	0.020	4	110.8852	0.102	6	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|N<3>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	H(C[5]C[5]N[5]H)	110.4745	0.045	2	110.8852	0.102	6	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|Br<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5790	0.037	3	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0425	0.065	4	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.5115	0.030	2	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0691	0.059	8	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8474	0.238	14	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9660	0.613	4	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0788	0.386	12	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1424	0.338	5	110.9590	0.107	52	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7628	0.365	4	110.7628	0.133	4	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0055	0.045	2	111.1870	0.045	4	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3685	0.005	2	111.1870	0.045	4	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.5375	0.009	2	111.5375	0.000	2	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	112.1850	0.876	3	111.9342	0.501	5	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.5580	0.023	2	111.9342	0.501	5	110.9884	0.296	330	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8120	0.010	2	110.8120	0.000	2	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0980	0.104	3	111.0980	0.011	3	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7415	0.013	2	110.7415	0.000	2	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3510	0.013	2	111.3510	0.000	2	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SCOO){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8010	1.066	2	110.8010	1.137	2	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.4135	1.143	2	110.8835	0.258	10	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8655	0.062	6	110.8835	0.258	10	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4075	0.045	2	110.8835	0.258	10	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2335	0.026	2	111.2335	0.001	2	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0310	0.171	4	111.0574	0.037	18	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0980	0.200	12	111.0574	0.037	18	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8665	0.056	2	111.0574	0.037	18	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SO3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SO3){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]N[5]H)	111.1705	0.035	2	111.1705	0.001	2	111.0089	0.120	43	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5500	0.096	2	110.5425	0.058	4	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2480	0.000	1	110.5425	0.058	4	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8220	0.000	1	110.5425	0.058	4	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.2665	0.030	4	110.2665	0.001	4	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{1|Cr<9>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	107.2050	6.767	2	107.2050	45.792	2	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6635	0.018	2	110.6635	0.000	2	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9495	0.042	2	110.5384	0.060	21	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6465	0.293	4	110.5384	0.060	21	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.4548	0.181	15	110.5384	0.060	21	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.8883	0.081	3	110.2044	0.242	5	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6785	0.453	2	110.2044	0.242	5	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.6845	0.033	2	110.6845	0.001	2	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|W<7>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.4275	0.023	2	110.5425	0.023	4	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6575	0.121	2	110.5425	0.023	4	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8137	0.080	4	110.8137	0.006	4	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.2885	0.210	2	110.2885	0.044	2	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7700	0.038	3	110.7700	0.001	3	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3980	0.016	2	111.3980	0.000	2	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|S<4>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.6955	0.013	2	110.6955	0.000	2	110.4416	1.304	57	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9215	0.011	2	110.9215	0.000	2	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){3|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.8945	0.354	4	110.8945	0.125	4	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3377	0.229	4	111.3377	0.052	4	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2220	0.033	2	111.2220	0.001	2	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6805	0.183	6	110.6805	0.033	6	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9160	0.000	1	110.9160	0.000	1	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCOO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8370	0.077	4	110.8370	0.006	4	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2425	0.057	2	110.8460	0.078	8	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.7138	0.156	6	110.8460	0.078	8	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,1|S<2>,2|C<3>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0530	0.010	2	111.0530	0.000	2	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7370	0.000	1	110.7370	0.000	1	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7843	0.683	10	110.9051	0.329	16	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,2|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9495	0.039	2	110.9051	0.329	16	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1850	0.306	4	110.9051	0.329	16	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.4455	0.009	2	110.4455	0.000	2	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0870	0.115	2	111.0870	0.013	2	110.9022	0.152	54	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5420	0.668	2	110.5420	0.446	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){2|C<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.7025	0.041	6	111.7025	0.002	6	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6275	0.151	4	110.6275	0.023	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9780	0.263	4	110.9780	0.069	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2110	0.004	2	111.2110	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6405	0.042	2	110.6405	0.002	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9470	0.064	2	110.9470	0.004	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6610	0.040	2	110.6610	0.002	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|S<6>,3|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]HH){1|C<3>,1|S<6>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1990	0.038	2	111.1990	0.001	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	110.8565	0.006	2	110.8565	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8940	0.054	2	110.7986	0.029	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8585	0.005	2	110.7986	0.029	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.7210	0.224	4	110.7986	0.029	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3){1|Fe<10>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	109.6589	1.891	9	109.6589	3.577	9	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	109.4680	0.000	1	109.4680	0.000	1	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	111.3520	0.023	2	111.3520	0.001	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	H(C[5]C[5]N[5]H)	110.9943	0.080	10	110.9943	0.006	10	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	110.7115	0.537	8	110.7115	0.288	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.7873	0.318	6	110.7873	0.101	6	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0900	0.008	2	111.0900	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0768	0.316	4	111.0768	0.100	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO){4|H<1>}	H(C[5]C[5]N[5]H)	110.6140	0.043	5	110.6140	0.002	5	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.9582	0.207	14	110.9539	0.038	19	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.9418	0.177	5	110.9539	0.038	19	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP){4|H<1>}	H(C[5]C[5]N[5]H)	111.1610	0.018	2	111.1610	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	111.2147	0.263	12	111.2037	0.050	18	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	111.1818	0.129	6	111.2037	0.050	18	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.7960	0.361	2	110.8151	0.031	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8215	0.132	6	110.8151	0.031	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0228	0.088	4	111.0228	0.008	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8990	0.006	2	110.8990	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CH3){4|H<1>}	H(C[5]C[5]N[5]H)	111.3675	0.036	2	111.3675	0.001	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CAlNN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CAlNN){4|H<1>}	H(C[5]C[5]N[5]H)	111.2400	0.080	7	111.2400	0.006	7	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0166	0.219	10	111.0166	0.048	10	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	H(C[5]C[5]N[5]H)	110.2169	2.492	25	110.2169	6.211	25	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[5]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.8397	0.603	36	110.8397	0.363	36	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.9437	0.225	15	110.9437	0.051	15	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.9984	0.194	8	110.9984	0.038	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]2H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]2H){4|H<1>}	H(C[5]C[5]N[5]H)	110.5921	0.626	23	110.5921	0.392	23	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0758	0.140	10	111.0758	0.020	10	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.7867	0.056	4	110.7867	0.003	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CLiNN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CLiNN){4|H<1>}	H(C[5]C[5]N[5]H)	110.9113	0.061	3	110.9113	0.004	3	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CMoCC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CMoCC){4|H<1>}	H(C[5]C[5]N[5]H)	111.0602	0.079	4	111.0602	0.006	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(CN[5]HH){4|H<1>}	H(C[5]C[5]N[5]H)	111.1257	0.049	3	111.1257	0.002	3	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6265	0.005	2	110.6265	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0895	0.033	2	111.0895	0.001	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1815	0.028	2	111.1815	0.001	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3315	1.316	2	110.3315	1.732	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|I<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0400	0.024	2	111.0400	0.001	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	109.9720	0.232	2	110.6860	0.698	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4000	0.017	2	110.6860	0.698	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9010	1.034	10	110.9010	1.069	10	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8720	0.064	2	110.8720	0.004	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.1488	0.190	18	111.1488	0.036	18	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]HH){1|C<3>,1|S<6>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4525	0.006	2	111.4525	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5180	0.004	2	110.5180	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8570	0.058	2	110.8570	0.003	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.1695	0.021	2	111.1695	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|S<3>}	H(C[5]C[5]N[5]H)	111.2695	0.202	4	111.2695	0.041	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|S<3>}	H(C[5]C[5]N[5]H)	110.3040	0.000	1	110.3040	0.000	1	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9393	0.148	4	110.9393	0.022	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	109.4725	0.011	2	109.4725	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4180	0.075	2	111.4180	0.006	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|F<1>}	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1350	1.219	2	111.1350	1.486	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6523	0.780	19	110.6523	0.609	19	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN){1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5375	0.066	4	110.5375	0.004	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3130	0.375	3	111.3130	0.141	3	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.4700	0.012	4	109.4700	0.000	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1173	0.350	3	111.1173	0.123	3	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7157	0.096	4	110.7157	0.009	4	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9698	0.215	13	110.9319	0.030	23	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8825	0.087	10	110.9319	0.030	23	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8319	0.069	11	110.8319	0.005	11	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Mg<6>,1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3){1|Mg<6>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0000	0.000	1	111.0000	0.000	1	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.8380	1.439	6	111.8380	2.072	6	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7806	0.096	8	110.7806	0.009	8	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4830	0.018	2	111.4830	0.000	2	110.8486	0.705	441	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	H(C[5]C[5]N[5]H)	110.9865	0.028	2	110.9865	0.001	2	111.1794	0.092	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[5]C[5]N[5]H)	111.2570	0.000	1	111.2570	0.000	1	111.1794	0.092	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{3|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1545	0.363	4	111.1545	0.132	4	111.1794	0.092	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2{1|F<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|F<1>,1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	111.5870	0.000	1	111.5870	0.000	1	111.1794	0.092	8	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PC[6a]2Se)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PC[6a]2Se){4|H<1>}	H(C[5]C[5]N[5]H)	110.9373	0.040	3	110.9373	0.002	3	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2I)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]2I){4|H<1>}	H(C[5]C[5]N[5]H)	110.8317	0.223	3	110.8317	0.050	3	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2N)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]2N){4|H<1>}	H(C[5]C[5]N[5]H)	110.9910	0.254	34	110.9910	0.065	34	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2Rh)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]2Rh){4|H<1>}	H(C[5]C[5]N[5]H)	110.8677	0.103	10	110.8677	0.011	10	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2Se)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]2Se){4|H<1>}	H(C[5]C[5]N[5]H)	111.0193	0.244	10	111.0193	0.060	10	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]NN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]NN){4|H<1>}	H(C[5]C[5]N[5]H)	110.9691	0.236	11	110.9691	0.056	11	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]SeC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PN[5]SeC){4|H<1>}	H(C[5]C[5]N[5]H)	108.6944	2.201	8	108.6944	4.845	8	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PRhOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(PRhOO){4|H<1>}	H(C[5]C[5]N[5]H)	111.0608	0.098	14	111.0608	0.010	14	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]RhC)(N[5]C[5]P)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PC[6a]2Rh)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]RhC)(N[5]C[5]P)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PC[6a]2Rh){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6955	0.585	2	110.6955	0.342	2	110.7824	0.812	95	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0050	0.101	3	111.0050	0.010	3	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SCOO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1970	0.006	2	111.1970	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8522	0.101	4	110.9587	0.033	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1715	0.021	2	110.9587	0.033	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SCOO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9725	0.006	2	110.9725	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2090	0.025	2	111.2090	0.001	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.2204	1.688	10	110.2204	2.850	10	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6850	0.023	2	110.8165	0.023	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9480	0.025	2	110.8165	0.023	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.2205	0.190	28	111.0787	0.126	38	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6243	0.373	4	111.0787	0.126	38	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8760	0.033	2	111.0787	0.126	38	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.6330	0.006	2	111.0787	0.126	38	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	110.6500	1.020	2	111.0787	0.126	38	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8467	0.188	6	110.8404	0.026	8	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8215	0.011	2	110.8404	0.026	8	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3784	0.094	5	111.3784	0.009	5	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8315	0.012	2	110.8966	0.050	12	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0400	0.236	6	110.8966	0.050	12	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|Cl<1>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|Cl<1>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7140	0.057	4	110.8966	0.050	12	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6]OO){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6785	5.215	2	110.6785	27.195	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8075	0.022	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2720	0.000	1	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3212	0.242	21	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2783	0.202	19	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1664	0.209	10	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9382	0.709	26	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	108.4115	0.066	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9538	0.205	9	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9520	0.251	4	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<2>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	115.9785	2.713	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	112.4645	1.269	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9715	2.191	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5790	3.391	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	109.5385	1.609	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|Si<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|Si<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3568	0.013	4	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8145	0.033	2	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1620	0.220	4	111.1312	1.065	114	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0102	0.050	4	111.1458	0.048	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4170	0.105	2	111.1458	0.048	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	110.7520	0.021	2	110.7520	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0335	1.841	2	111.0335	3.388	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7635	0.029	2	110.7635	0.001	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.8865	0.016	2	110.8865	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,3|H<1>}	H(C[5]C[5]N[5]H)	110.4600	0.035	2	110.4600	0.001	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2940	0.079	4	111.2940	0.006	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SCOO){1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9775	0.004	2	110.9775	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5380	0.045	4	110.5380	0.002	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	H(C[5]C[5]N[5]H)	111.2732	0.277	6	111.2732	0.077	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[5a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[5a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1645	0.029	2	111.1645	0.001	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.5275	0.779	2	111.0743	0.098	66	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3888	0.061	4	111.0743	0.098	66	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	111.0823	0.336	30	111.0743	0.098	66	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2700	0.021	2	111.0743	0.098	66	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	111.0248	0.218	26	111.0743	0.098	66	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3205	0.004	2	111.0743	0.098	66	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SNOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SNOO){4|H<1>}	H(C[5]C[5]N[5]H)	111.0125	0.046	2	111.0125	0.002	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9660	0.000	1	111.0401	0.033	8	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO){3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0507	0.193	7	111.0401	0.033	8	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1153	0.086	4	111.1153	0.007	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(SCOO){4|H<1>}	H(C[5]C[5]N[5]H)	110.8200	0.049	4	110.8200	0.002	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9800	0.000	1	110.9456	0.015	12	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]H)	110.9425	0.126	11	110.9456	0.015	12	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SNOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	N[5](C[5]C[5]HH)2(SNOO){4|H<1>}	H(C[5]C[5]N[5]H)	111.2560	0.037	2	111.2560	0.001	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8550	0.006	2	111.2267	0.085	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4125	0.064	4	111.2267	0.085	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1575	0.015	2	111.2187	0.013	10	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3025	0.140	4	111.2187	0.013	10	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2035	0.022	2	111.2187	0.013	10	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1275	0.063	2	111.2187	0.013	10	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	109.8490	1.602	2	110.4373	5.403	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0255	3.501	2	110.4373	5.403	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1740	0.020	2	111.1740	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9950	0.014	2	111.2392	0.118	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3612	0.371	4	111.2392	0.118	6	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6]OO){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	113.7385	3.468	2	113.7385	12.030	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.4170	1.838	2	110.9898	2.201	9	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0760	0.000	1	110.9898	2.201	9	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2425	0.564	2	110.9898	2.201	9	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9555	2.454	2	110.9898	2.201	9	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	112.3010	0.904	2	110.9898	2.201	9	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|Si<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1515	0.081	2	111.1198	0.006	5	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|Si<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0987	0.078	3	111.1198	0.006	5	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8630	0.000	1	110.8630	0.000	1	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2200	0.021	2	111.2200	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,5|C<3>}	H(C[5]C[5]N[5]H)	110.9105	0.059	2	110.9105	0.003	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0145	0.022	2	111.0145	0.000	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.4550	0.000	1	111.4492	0.001	5	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|Si<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4635	0.045	2	111.4492	0.001	5	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4320	0.035	2	111.4492	0.001	5	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0670	0.488	4	111.0670	0.238	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4215	0.032	2	111.1343	0.110	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8470	0.006	2	111.1343	0.110	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2355	0.047	2	111.2355	0.002	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1565	0.032	2	111.1565	0.001	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[5]HH)(C[5]N[5]CH)(SC[6a]OO){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3125	0.324	4	111.3125	0.105	4	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]H)	110.0190	0.023	2	110.0190	0.001	2	111.0623	0.656	414	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SiCOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SiCOO){4|H<1>}	H(C[5]C[5]N[5]H)	111.1195	0.114	2	111.1195	0.013	2	111.1195	0.013	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.4695	0.028	2	110.4695	0.001	2	110.6517	0.031	24	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4360	0.156	4	110.4360	0.024	4	110.6517	0.031	24	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4795	0.026	2	110.4795	0.001	2	110.6517	0.031	24	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6990	0.057	2	110.6990	0.003	2	110.6517	0.031	24	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7490	0.090	10	110.7490	0.008	10	110.6517	0.031	24	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6390	0.030	2	110.6390	0.001	2	110.6517	0.031	24	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|O<2>}	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3){2|H<1>}	H(C[5]C[5]N[5]H)	110.9160	0.144	2	110.9160	0.021	2	110.6517	0.031	24	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2{1|C<4>,1|H<1>,2|O<1>}	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	109.7085	0.012	2	109.7085	0.000	2	110.5704	1.349	5	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2{1|C<4>,2|C<3>,2|O<1>}	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8620	0.000	1	110.8620	0.000	1	110.5704	1.349	5	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2{1|H<1>,2|O<1>}	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2865	1.674	2	111.2865	2.801	2	110.5704	1.349	5	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	In[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2	N[5](In[5,5]N[5,5]N[5]C)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2{1|N<3>,3|C<4>}	N[5](In[5,5]N[5,5]N[5]C)(C[5]C[5]HH)(SC[6a]OO){1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	109.1465	0.011	2	109.1465	0.000	2	109.1465	0.000	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4480	0.054	2	110.4480	0.003	2	110.4480	0.003	2	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>,1|O<1>}	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	H(C[5]C[5]N[5]H)	110.1547	0.202	3	110.1547	0.041	3	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[5x3,5x5,20x6]N[5]Ni)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<4>,1|C<6>}	N[5](P[5]C[5x3,5x5,20x6]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(C[5]C[5]N[5]H)	110.5169	0.147	7	110.5169	0.022	7	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<3>,1|C<4>}	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5837	0.415	6	110.5837	0.172	6	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|O<1>,2|C<3>}	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.7760	0.045	2	109.7760	0.002	2	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6410	0.009	3	110.6410	0.000	3	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5641	0.167	10	110.5641	0.028	10	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Cl<1>,1|Pt<4>,1|C<4>}	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4179	0.114	9	110.4179	0.013	9	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>,1|O<2>}	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5339	0.224	15	110.5244	0.041	19	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>,1|O<2>}	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4887	0.085	4	110.5244	0.041	19	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pd<4>,2|C<4>}	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6134	0.046	5	110.6134	0.002	5	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,2|C<4>}	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4942	0.198	13	110.4942	0.039	13	110.4924	0.057	77	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:O-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]O)	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	4:4:4:	4:	N[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]NiC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN)	H(C[5]N[5]2H)	C[5](N[5]C[5]NiC)(N[5]C[5]C)(H)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN){1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]N[5]2H)	110.8915	0.058	4	110.8915	0.003	4	110.8915	0.003	4	110.9369	0.516	2155	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH){2|H<1>,6|C<4>}	H(C[5]C[5]N[5]H)	110.5884	0.095	5	110.5884	0.009	5	110.4187	0.035	19	110.4966	0.052	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	H(C[5]C[5]N[5]H)	110.5898	0.037	4	110.5898	0.001	4	110.4187	0.035	19	110.4966	0.052	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|N<2>,2|C<4>,2|N<3>}	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3){2|H<1>,6|C<4>}	H(C[5]C[5]N[5]H)	110.2654	0.099	10	110.2654	0.010	10	110.4187	0.035	19	110.4966	0.052	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	P[5]-5:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ce<8>,1|C<4>,1|N<2>,1|N<3>}	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	110.4966	0.052	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	Si-5:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	N[5](SiC[6]LiCO)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	N[5](SiC[6]LiCO)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	H(C[5]C[5]N[5]H)	110.7785	0.028	4	110.7785	0.001	4	110.7785	0.001	4	110.4966	0.052	24	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:1:1:	6:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	In[3x5]-6:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2	N[5](In[3x5]N[3x5]N[5,6]N[5]N[6]Cl)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2{1|Cl<1>,2|C<4>,3|N<3>}	N[5](In[3x5]N[3x5]N[5,6]N[5]N[6]Cl)(C[5]C[5]HH)(SC[6a]OO){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	109.4627	0.493	4	109.4627	0.243	4	109.4627	0.243	4	109.4627	0.243	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]C)	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	H(C[5]C[5,5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]N)	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	110.5090	0.010	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]O)	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	110.5090	0.010	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H)	N[5](C[5]C[5]HS)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]S)	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]HS)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]S)	108.9090	0.000	1	108.9090	0.000	1	109.2935	0.296	2	109.2935	0.296	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:3:1:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H)	N[5](C[5]C[5]HS)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]S)	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]HS)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]S)	109.6780	0.000	1	109.6780	0.000	1	109.2935	0.296	2	109.2935	0.296	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:1:	4:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H)	N[5](C[5]C[5]S[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]S[5])	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,5|H<1>}	N[5](C[5]C[5]S[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<2>,3|H<1>}	H(C[5]C[5]N[5]S[5])	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:2:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CC)(O[5]C[5])	H(C[5]C[5,5]N[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]N[5]O[5])	108.1550	0.000	1	108.1550	0.000	1	108.7927	2.638	3	108.7927	2.638	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:2:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])	H(C[5]C[5,5]N[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]N[5]O[5])	110.6390	0.000	1	110.6390	0.000	1	108.7927	2.638	3	108.7927	2.638	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:2:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])	H(C[5]C[5,5]N[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,4|C<4>,4|H<1>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]N[5]O[5])	107.5840	0.000	1	107.5840	0.000	1	108.7927	2.638	3	108.7927	2.638	3	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO){4|H<1>}	H(C[5]C[5]N[5]N)	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[3x6]N[5]O[5])	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3x6]N[5]O[5])	108.9930	0.000	1	108.9930	0.000	1	109.1060	0.026	2	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[3x6]N[5]O[5])	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3x6]N[5]O[5])	109.2190	0.000	1	109.2190	0.000	1	109.1060	0.026	2	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(SCOO)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(SCOO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]O)	111.2200	0.000	1	111.2200	0.000	1	111.2200	0.000	1	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3){2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[5]N[5]C)	110.6805	0.086	2	110.6805	0.007	2	109.9480	1.613	3	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)2(CC[6a]3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]3){4|H<1>}	H(C[5]C[5]N[5]C)	108.4830	0.000	1	108.4830	0.000	1	109.9480	1.613	3	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HO)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]O)	112.4135	0.076	2	112.4135	0.006	2	111.7368	0.409	5	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[5]C[5]N[5]O)	111.4970	0.000	1	111.4970	0.000	1	111.7368	0.409	5	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]O)	111.1800	0.197	2	111.1800	0.039	2	111.7368	0.409	5	110.7236	1.731	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	109.0449	0.703	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]N[5,5]S[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,5]N[5,5]S[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.0449	0.703	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H){1|H<1>,2|C<4>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	109.0449	0.703	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6850	0.027	2	109.3386	0.722	5	109.3386	0.722	5	109.0449	0.703	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.7620	0.000	1	109.3386	0.722	5	109.3386	0.722	5	109.0449	0.703	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2805	0.015	2	109.3386	0.722	5	109.3386	0.722	5	109.0449	0.703	8	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2655	0.579	2	108.2655	0.335	2	108.2655	0.335	2	108.2655	0.335	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.8200	0.725	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	108.8200	0.725	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H){1|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]C)	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H){3|H<1>,4|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7035	0.391	2	108.7035	0.153	2	108.7035	0.153	2	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.1770	0.672	3	108.1770	0.451	3	108.8157	0.973	6	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1040	0.000	1	110.1040	0.000	1	108.8157	0.973	6	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.7930	0.000	1	109.7930	0.000	1	108.8157	0.973	6	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.4660	0.000	1	108.4660	0.000	1	108.8157	0.973	6	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3395	0.040	2	110.3395	0.002	2	110.3395	0.002	2	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H){1|N<2>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO){3|H<1>,4|C<3>}	H(C[5]C[5]2N[5])	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3120	0.000	1	108.3120	0.000	1	108.9820	0.898	2	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6520	0.000	1	109.6520	0.000	1	108.9820	0.898	2	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9267	0.739	3	108.9267	0.546	3	109.1410	0.548	4	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7840	0.000	1	109.7840	0.000	1	109.1410	0.548	4	109.0227	0.767	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H)	N[5](C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1160	0.242	2	109.1160	0.058	2	109.1160	0.058	2	109.1160	0.058	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(CC[6a]O)(H)	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(CC[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO){1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]C)	109.9340	0.000	1	109.9340	0.000	1	109.4885	0.397	2	109.3182	0.274	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO){1|O<2>,2|C<3>}	H(C[5]C[5,5]N[5]C)	109.0430	0.000	1	109.0430	0.000	1	109.4885	0.397	2	109.3182	0.274	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){2|C<3>,3|H<1>}	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	109.3182	0.274	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(O[5]C[5])(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CNO)(H){1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(O[5]C[5])(COO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.3820	0.642	2	109.3820	0.412	2	109.3820	0.412	2	109.3182	0.274	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3){1|C<4>,4|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5a]N[5])	108.3280	0.000	1	109.1567	7.865	3	109.1567	7.865	3	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5a]N[5])	109.5710	3.834	2	109.1567	7.865	3	109.1567	7.865	3	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.7668	0.714	6	108.7668	0.510	6	108.7668	0.510	6	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H)	N[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(SC[6a]OO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:2:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	109.2798	2.188	14	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0745	0.479	2	109.0745	0.229	2	109.0745	0.229	2	109.6024	0.930	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	H(C[5]C[5]N[5]C)	110.9080	0.000	1	110.9080	0.000	1	110.5795	0.216	2	109.6024	0.930	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	110.2510	0.000	1	110.2510	0.000	1	110.5795	0.216	2	109.6024	0.930	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:1:	4:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H)	N[5](C[5]C[6a]P[5]H)(N[5]C[5]C)(H)	H(C[5]C[6a]N[5]P[5])	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]P[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]P[5])	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	109.6024	0.930	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[4,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5])	H(C[5]C[4,5]C[6a]N[5])	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[4,5]C[6a]N[5])	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H)	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]C)	110.2515	0.388	2	110.2515	0.151	2	110.2515	0.151	2	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:N[5]-3:C[5a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5])	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5]){4|H<1>,6|C<3>}	H(C[5]C[5,5]C[5a]N[5])	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9340	0.000	1	107.9340	0.000	1	108.0615	0.033	2	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1890	0.000	1	108.1890	0.000	1	108.0615	0.033	2	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.1740	0.000	1	109.1740	0.000	1	109.0310	0.041	2	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.8880	0.000	1	108.8880	0.000	1	109.0310	0.041	2	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|S<2>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3080	0.000	1	109.3080	0.000	1	109.0080	0.288	3	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3280	0.000	1	108.8580	0.442	2	109.0080	0.288	3	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3880	0.000	1	108.8580	0.442	2	109.0080	0.288	3	108.9432	0.601	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH){1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	109.9353	2.360	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	109.9353	2.360	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	109.9353	2.360	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4870	0.454	2	109.5670	0.122	3	109.5670	0.122	3	109.9353	2.360	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7270	0.000	1	109.5670	0.122	3	109.5670	0.122	3	109.9353	2.360	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5a]N[5])	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH){6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<2>,1|N<3>,3|C<3>,4|C<4>,7|H<1>}	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]N[5])	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H)	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]N)	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5,6]N[5]P)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]P)	104.5590	0.000	1	104.5590	0.000	1	104.5590	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2N[5])	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH){5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8040	0.000	1	107.8040	0.000	1	109.0920	0.216	11	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3130	0.179	4	109.3130	0.032	4	109.0920	0.216	11	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1310	0.235	4	109.1310	0.055	4	109.0920	0.216	11	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2160	0.102	2	109.2160	0.010	2	109.0920	0.216	11	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO){1|Fe<10>,1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4005	0.202	2	109.7017	0.292	3	109.4930	0.339	5	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(SC[6a]OO){1|Ru<10>,1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3040	0.000	1	109.7017	0.292	3	109.4930	0.339	5	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(SCOO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(SCOO){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6520	0.000	1	109.6520	0.000	1	109.4930	0.339	5	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7080	0.000	1	108.7080	0.000	1	109.4930	0.339	5	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CC[6a]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CC[6a]O)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(SCOO){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H){1|N<3>,1|O<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	H(C[5]C[5]2N[5])	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	109.0079	1.647	28	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[4,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H)	H(C[5]C[4,5]N[5]C)	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,1|N<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[4,5]N[5]C)	109.3075	0.641	2	109.3075	0.411	2	109.3075	0.411	2	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CC)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5a]N[5])	108.6920	0.884	2	108.6920	0.781	2	108.6920	0.781	2	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]C[6a]H)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.8270	0.000	1	108.8270	0.000	1	108.8270	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.0240	2.408	3	108.9158	7.045	4	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	111.5910	0.000	1	108.9158	7.045	4	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	112.9470	0.000	1	109.5174	5.517	5	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	110.8280	0.000	1	109.5174	5.517	5	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.3660	0.000	1	109.5174	5.517	5	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.7230	0.908	2	109.5174	5.517	5	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1890	0.000	1	108.1890	0.000	1	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.4820	0.000	1	107.4820	0.000	1	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.8360	0.000	1	109.8360	0.000	1	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.8930	0.000	1	107.8930	0.000	1	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	105.8700	0.000	1	106.7325	1.488	2	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.5950	0.000	1	106.7325	1.488	2	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.5770	0.000	1	108.5770	0.000	1	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.5110	0.000	1	106.5110	0.000	1	108.5414	4.002	17	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	110.3530	0.000	1	110.3530	0.000	1	110.3972	6.491	6	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	108.7330	0.000	1	111.0277	14.596	3	110.3972	6.491	6	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	112.1750	4.615	2	111.0277	14.596	3	110.3972	6.491	6	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]N[5]C)	109.0470	0.000	1	109.4735	0.364	2	110.3972	6.491	6	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	109.9000	0.000	1	109.4735	0.364	2	110.3972	6.491	6	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,6]C[6a]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	N[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.1390	0.000	1	107.1390	0.000	1	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.4370	0.000	1	109.6418	0.031	4	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.6030	0.000	1	109.6418	0.031	4	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.6610	0.000	1	109.6418	0.031	4	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.8660	0.000	1	109.6418	0.031	4	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.0680	0.000	1	107.5175	0.849	4	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.3340	1.035	3	107.5175	0.849	4	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.8180	0.000	1	108.0885	0.146	2	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,5|C<3>,5|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3590	0.000	1	108.0885	0.146	2	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3355	0.718	2	108.3355	0.515	2	108.3557	1.196	13	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]C)	107.9620	0.000	1	107.5585	0.326	2	107.9888	0.817	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]C)	107.1550	0.000	1	107.5585	0.326	2	107.9888	0.817	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]C)	107.7795	0.921	2	108.2757	1.163	3	107.9888	0.817	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]N[5]C)	109.2680	0.000	1	108.2757	1.163	3	107.9888	0.817	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[3x5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2730	0.127	2	108.2730	0.016	2	108.4632	0.583	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[3x5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5900	1.048	3	108.5900	1.098	3	108.4632	0.583	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	110.6300	0.000	1	110.6300	0.000	1	109.3014	1.745	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	107.1070	0.000	1	107.1070	0.000	1	109.3014	1.745	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2760	0.000	1	109.5290	0.128	2	109.3014	1.745	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7820	0.000	1	109.5290	0.128	2	109.3014	1.745	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7120	0.000	1	109.7120	0.000	1	109.3014	1.745	5	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	108.3170	1.707	2	108.3170	2.914	2	109.5604	7.646	10	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Fe<10>,2|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(H){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[6a]C[5]N[5])	116.4710	0.000	1	116.4710	0.000	1	109.5604	7.646	10	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9430	0.000	1	108.5157	1.804	3	109.5604	7.646	10	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3020	1.826	2	108.5157	1.804	3	109.5604	7.646	10	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)2(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)2(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6273	1.723	3	109.6273	2.968	3	109.5604	7.646	10	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0700	0.000	1	108.0700	0.000	1	109.5604	7.646	10	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.3990	0.325	2	108.3990	0.106	2	108.6883	0.304	3	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H){1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.2670	0.000	1	109.2670	0.000	1	108.6883	0.304	3	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H){1|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	107.7890	0.000	1	107.7890	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|C<4>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	107.3860	0.000	1	107.3860	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.8010	0.000	1	109.8010	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<4>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5]N[5]C)	110.7980	0.000	1	109.3975	3.923	2	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	107.9970	0.000	1	109.3975	3.923	2	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]C)	110.6430	0.000	1	110.6430	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.8350	0.136	2	109.8350	0.018	2	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]C)	107.3990	0.000	1	107.3990	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.0690	0.000	1	108.0690	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	109.0860	0.000	1	109.0860	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]C)	109.4217	0.320	6	109.4217	0.103	6	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]C)	110.1000	0.000	1	110.1000	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8020	0.000	1	109.0943	0.824	3	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.7405	0.947	2	109.0943	0.824	3	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){1|C<3>,1|S<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|S<4>}	H(C[5]C[5]N[5]C)	107.5330	0.000	1	108.9070	3.776	2	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.2810	0.000	1	108.9070	3.776	2	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]C)	111.6630	0.000	1	111.6630	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|Si<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.3140	0.000	1	110.3140	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.6860	0.000	1	108.6860	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<2>,3|C<3>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H){1|H<1>,1|S<2>,3|C<3>}	H(C[5]C[5]N[5]C)	109.4540	0.000	1	109.4540	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	108.3970	0.000	1	108.3970	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.1910	0.000	1	108.1910	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]CH)(H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4310	0.000	1	109.4310	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<4>,4|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.8030	0.513	3	109.6272	1.435	5	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]N[5]C)	110.8635	0.344	2	109.6272	1.435	5	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.5640	0.024	2	109.5640	0.001	2	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0810	0.000	1	109.7163	0.731	8	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.6300	0.000	1	109.7163	0.731	8	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3780	0.000	1	109.7163	0.731	8	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.7282	1.033	5	109.7163	0.731	8	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0490	0.000	1	109.0490	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CC)(N[5]C[5]H)(COO)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,4|C<3>}	H(C[5]C[5]N[5]C)	108.0380	0.000	1	108.0380	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<2>,2|C<4>}	H(C[5]C[5]N[5]C)	108.6410	0.000	1	108.6410	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9480	0.000	1	108.9480	0.000	1	109.3096	1.021	49	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]S[5]H)(COO)(H)	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]S[5]H)(COO)(H){1|C<4>,2|O<1>}	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(H)	H(C[5]C[5]N[5]2)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(H){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]N[5]2)	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	108.5545	0.257	2	108.5545	0.066	2	108.1927	0.426	3	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	107.4690	0.000	1	107.4690	0.000	1	108.1927	0.426	3	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	N[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)	H(C[5]N[5]2C)	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H){2|C<4>,5|H<1>}	H(C[5]N[5]2C)	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:1:	4:	N[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)	H(C[5]N[5]2C)	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]N[5]2C)	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.0460	2.204	132	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:S-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5]){1|Br<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.8625	0.166	2	108.8625	0.028	2	108.8625	0.028	2	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(C[5]O[5]O)	H(C[5]C[5]2N[5])	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5]2N[5])	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H){1|Fe<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO){1|Fe<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5]C[6]N[5])	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3942	0.129	8	109.3942	0.017	8	109.3942	0.017	8	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7030	0.000	1	108.7030	0.000	1	109.0625	0.258	2	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	109.4220	0.000	1	109.4220	0.000	1	109.0625	0.258	2	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.8480	1.735	2	108.8480	3.011	2	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	107.7340	0.000	1	107.7340	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	108.5460	0.146	4	108.5460	0.021	4	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO){4|H<1>}	H(C[5]C[5]N[5]C)	111.8240	0.000	1	111.8240	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|P<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.9190	0.000	1	110.9190	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|S<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	113.8440	0.000	1	113.8440	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	112.1450	0.000	1	112.1450	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7280	0.000	1	109.7280	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.7210	0.000	1	110.7210	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.3040	0.000	1	109.3040	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.8900	0.000	1	109.8900	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9350	0.000	1	109.9350	0.000	1	109.8702	2.913	16	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:Si[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	109.4312	2.292	35	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	B[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H)	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH)	H(C[5]B[5]N[5]N)	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H){1|C<4>,3|H<1>}	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH){2|Br<1>,2|H<1>}	H(C[5]B[5]N[5]N)	90.8213	0.000	1	90.8213	0.000	1	90.8213	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,7|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[3,5]C[6a]N[5])	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[3x5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[3x5,6]C[6a]H)(C[5]C[5,5,6]HH)(SC[6a]OO)	H(C[5]C[3x5,6]C[6a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,5|C<3>,5|H<1>}	N[5](C[5]C[3x5,6]C[6a]H)(C[5]C[5,5,6]HH)(SC[6a]OO){1|O<2>,5|C<3>}	H(C[5]C[3x5,6]C[6a]N[5])	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3)	H(C[5]C[4,5]C[6a]N[5])	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,3|H<1>,5|C<4>}	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3){2|C<4>,4|C<3>}	H(C[5]C[4,5]C[6a]N[5])	107.1760	0.000	1	107.1760	0.000	1	107.1760	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|P<4>,1|W<7>,3|H<1>,7|C<3>}	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	H(C[5]C[5,5,6,6]C[6a]N[5])	108.0380	0.000	1	107.7697	0.124	3	107.7697	0.124	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<6>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	H(C[5]C[5,5,6,6]C[6a]N[5])	107.3710	0.000	1	107.7697	0.124	3	107.7697	0.124	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<7>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	H(C[5]C[5,5,6,6]C[6a]N[5])	107.9000	0.000	1	107.7697	0.124	3	107.7697	0.124	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH)	H(C[5]C[5,5,6,6]N[5]C)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H){2|H<1>,6|C<3>}	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH){4|C<3>}	H(C[5]C[5,5,6,6]N[5]C)	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[3x5,6]HH)(SC[6a]OO)	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[3x5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	H(C[5]C[5,5,6]C[6a]N[5])	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5a]N[5])	109.3335	0.244	2	109.3335	0.060	2	109.3335	0.060	2	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	P[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H)	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H){1|H<1>,1|W<6>,3|C<3>,3|C<4>}	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5a]N[5])	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.3180	0.000	1	107.3180	0.000	1	107.8497	0.213	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,3|C<4>,6|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.1460	0.000	1	108.1460	0.000	1	107.8497	0.213	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.0850	0.000	1	108.0850	0.000	1	107.8497	0.213	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO){1|C<4>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.6770	0.000	1	107.6770	0.000	1	108.3389	0.413	9	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.3420	0.000	1	108.2560	0.352	3	108.3389	0.413	9	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|S<2>,3|C<3>,6|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.2130	0.833	2	108.2560	0.352	3	108.3389	0.413	9	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.0820	0.000	1	108.2475	0.055	2	108.3389	0.413	9	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,3|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.4130	0.000	1	108.2475	0.055	2	108.3389	0.413	9	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,5|C<3>,6|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.0800	0.904	2	109.0800	0.817	2	108.3389	0.413	9	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(SC[6a]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(SC[6a]OO){7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9500	0.000	1	107.9500	0.000	1	108.3389	0.413	9	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H)	N[5](C[5]C[5,5]CH)2(CH3)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]CH)2(CH3){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	109.0730	0.000	1	109.0730	0.000	1	109.3510	0.562	4	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)2(CCHH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]CH)2(CCHH){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.4670	0.000	1	108.4670	0.000	1	109.3510	0.562	4	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	109.9320	0.390	2	109.9320	0.152	2	109.3510	0.562	4	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H){2|C<3>,4|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]N[5]C)	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3){2|H<1>,2|O<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.6440	0.000	1	108.9915	0.332	4	108.8794	0.312	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.8345	0.637	2	108.9915	0.332	4	108.8794	0.312	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){4|C<3>,6|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.6530	0.000	1	108.9915	0.332	4	108.8794	0.312	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(SC[6a]OO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.4310	0.000	1	108.4310	0.000	1	108.8794	0.312	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH){2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]C)	109.6875	0.217	2	109.6220	0.036	3	109.6220	0.036	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]C)	109.4910	0.000	1	109.6220	0.036	3	109.6220	0.036	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3){2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]2N[5])	110.6125	1.092	2	110.6125	1.194	2	109.7127	3.026	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]2N[5])	107.9130	0.000	1	107.9130	0.000	1	109.7127	3.026	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){2|C<3>,4|H<1>}	H(C[5]C[5]C[6]N[5])	109.1490	0.475	2	109.7690	1.266	3	109.7690	1.266	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|N<3>,2|C<3>,6|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	111.0090	0.000	1	109.7690	1.266	3	109.7690	1.266	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[4,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	N[5](C[4,5]N[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[4,5]N[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1763	0.152	3	109.1763	0.023	3	109.0484	0.075	7	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9650	0.247	2	108.9650	0.061	2	109.0484	0.075	7	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[6a]C[5]N[5])	108.9400	0.506	2	108.9400	0.256	2	109.0484	0.075	7	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1265	0.244	2	109.1265	0.060	2	108.7223	0.520	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9140	0.000	1	107.9140	0.000	1	108.7223	0.520	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4510	0.000	1	108.4510	0.000	1	108.8180	0.269	2	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1850	0.000	1	109.1850	0.000	1	108.8180	0.269	2	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3){2|C<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9627	0.289	4	108.9627	0.083	4	109.6715	1.976	11	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	112.4260	0.670	2	112.4260	0.449	2	109.6715	1.976	11	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0505	0.314	4	109.0505	0.099	4	109.6715	1.976	11	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4810	0.000	1	109.4810	0.000	1	109.6715	1.976	11	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3095	0.477	2	108.7015	0.410	4	109.0560	0.936	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0935	0.622	2	108.7015	0.410	4	109.0560	0.936	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4740	0.000	1	110.4740	0.000	1	109.0560	0.936	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	110.5280	0.000	1	110.5280	0.000	1	109.9716	0.803	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.9510	0.000	1	109.8325	0.941	4	109.9716	0.803	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0265	0.173	2	109.8325	0.941	4	109.9716	0.803	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.3260	0.000	1	109.8325	0.941	4	109.9716	0.803	5	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	108.6820	0.000	1	108.6820	0.000	1	109.2678	0.925	4	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH){1|N<2>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	108.2200	0.000	1	108.2200	0.000	1	109.2678	0.925	4	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	110.0700	0.000	1	110.0700	0.000	1	109.2678	0.925	4	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	110.0990	0.000	1	110.0990	0.000	1	109.2678	0.925	4	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.9890	0.000	1	108.9890	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.6490	0.000	1	111.6490	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	H(C[5]C[5]N[5]C)	109.3498	0.635	5	109.3498	0.404	5	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO){4|H<1>}	H(C[5]C[5]N[5]C)	109.9057	0.130	3	109.9057	0.017	3	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	108.9595	0.495	6	108.9595	0.245	6	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	H(C[5]C[5]N[5]C)	109.3167	0.533	6	109.3167	0.284	6	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	110.1190	0.000	1	110.1190	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH){4|H<1>}	H(C[5]C[5]N[5]C)	109.6900	0.000	1	109.6900	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.5120	0.000	1	109.5120	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP){4|H<1>}	H(C[5]C[5]N[5]C)	109.9750	0.000	1	109.9750	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<2>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]3){4|H<1>}	H(C[5]C[5]N[5]C)	109.0270	0.000	1	109.0270	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	112.6030	0.000	1	111.6240	1.917	2	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	110.6450	0.000	1	111.6240	1.917	2	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	110.1050	0.000	1	110.1050	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.1810	0.000	1	109.1810	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.3600	0.000	1	109.3600	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	107.0400	0.000	1	107.0400	0.000	1	109.5157	0.940	33	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[5]C[5]N[5]C)	110.0850	0.000	1	109.9555	0.034	2	110.2443	0.267	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	H(C[5]C[5]N[5]C)	109.8260	0.000	1	109.9555	0.034	2	110.2443	0.267	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|F<1>,1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5]N[5]C)	110.8220	0.000	1	110.8220	0.000	1	110.2443	0.267	3	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]C)	110.4550	0.000	1	110.4550	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8040	0.000	1	108.8040	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2465	0.947	2	109.2465	0.896	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	111.0610	0.000	1	111.0610	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.8290	0.000	1	110.8290	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9390	0.000	1	109.9390	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	108.8520	0.000	1	108.8520	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	108.4910	0.000	1	108.4910	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.0055	0.902	2	110.0055	0.813	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.4370	0.000	1	110.0585	0.287	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.6800	0.000	1	110.0585	0.287	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	H(C[5]C[5]N[5]C)	109.9273	0.967	3	109.9273	0.935	3	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.3136	0.840	8	110.3136	0.706	8	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.9940	0.086	2	110.9940	0.007	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8030	0.000	1	110.1135	1.012	4	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.5503	0.611	3	110.1135	1.012	4	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.3450	0.007	2	110.3450	0.000	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3510	0.000	1	110.3510	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.3910	0.000	1	110.0875	0.184	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7840	0.000	1	110.0875	0.184	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.3030	0.000	1	110.2330	0.010	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.1630	0.000	1	110.2330	0.010	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.3620	0.000	1	110.3620	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	110.7960	0.000	1	110.7960	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5610	0.000	1	109.5610	0.000	1	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	110.2205	1.016	2	110.2205	1.032	2	110.1102	0.613	42	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0020	0.225	2	110.0020	0.051	2	110.0020	0.051	2	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]N[5]2)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH){2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]2)	114.7610	0.000	1	114.7610	0.000	1	112.1595	13.536	2	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H)	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]2)	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H){4|C<4>,4|H<1>}	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5]N[5]2)	109.5580	0.000	1	109.5580	0.000	1	112.1595	13.536	2	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]C[6]N[5])	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:3:1:	4:4:4:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<3>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3){1|Mg<6>,2|C<3>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	109.3857	3.302	169	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	109.1388	0.646	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.1388	0.646	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.9080	0.000	1	109.9080	0.000	1	109.6215	0.164	2	109.1388	0.646	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3350	0.000	1	109.3350	0.000	1	109.6215	0.164	2	109.1388	0.646	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:1:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]C[6]N[5])	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	109.1388	0.646	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:2:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8680	0.000	1	109.8680	0.000	1	109.6753	0.150	6	109.3534	0.286	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4778	0.257	4	109.4778	0.066	4	109.6753	0.150	6	109.3534	0.286	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2730	0.000	1	110.2730	0.000	1	109.6753	0.150	6	109.3534	0.286	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8267	0.242	3	108.8267	0.059	3	108.8267	0.059	3	109.3534	0.286	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	108.6320	0.000	1	108.6320	0.000	1	109.2585	0.785	2	109.3534	0.286	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.8850	0.000	1	109.8850	0.000	1	109.2585	0.785	2	109.3534	0.286	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H)	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.3534	0.286	12	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H){1|C<4>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9810	0.000	1	109.9810	0.000	1	110.3754	0.864	5	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	111.5310	0.000	1	111.5310	0.000	1	110.3754	0.864	5	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.9870	0.000	1	110.9870	0.000	1	110.3754	0.864	5	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6890	0.806	2	109.6890	0.650	2	110.3754	0.864	5	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H){1|C<3>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	H(C[5]C[3]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){4|C<3>,4|H<1>}	H(C[5]C[3]C[5]N[5])	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2N[5])	109.0555	0.028	2	109.0555	0.001	2	109.0555	0.001	2	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5]2N[5])	108.2060	0.000	1	108.2060	0.000	1	108.9285	1.044	2	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	3:4:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]C[5]2N[5])	109.6510	0.000	1	109.6510	0.000	1	108.9285	1.044	2	109.6470	0.878	13	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:2:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(O[5]C[5])(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H){2|H<1>}	N[5](C[5]C[5]CH)(O[5]C[5])(COO){4|H<1>}	H(C[5]C[5]N[5]C)	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:2:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H)	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]N[5]C)	109.0770	0.105	2	109.0770	0.011	2	109.0770	0.011	2	109.1198	0.098	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:2:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-2:S-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(N[5]C[5])(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H){1|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5])(SCOO){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	108.8400	0.000	1	108.8400	0.000	1	108.8400	0.000	1	109.1198	0.098	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:2:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4350	0.361	2	109.4350	0.130	2	109.2417	0.177	3	109.1198	0.098	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:2:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8550	0.000	1	108.8550	0.000	1	109.2417	0.177	3	109.1198	0.098	6	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2590	0.000	1	109.2590	0.000	1	109.7902	0.510	5	109.7688	0.418	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.0030	0.000	1	110.0030	0.000	1	109.7902	0.510	5	109.7688	0.418	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.6530	0.000	1	110.6530	0.000	1	109.7902	0.510	5	109.7688	0.418	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.5180	0.907	2	109.5180	0.822	2	109.7902	0.510	5	109.7688	0.418	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2640	0.788	2	109.2640	0.620	2	109.7474	0.429	5	109.7688	0.418	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2175	0.432	2	110.2175	0.187	2	109.7474	0.429	5	109.7688	0.418	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7740	0.000	1	109.7740	0.000	1	109.7474	0.429	5	109.7688	0.418	10	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6])	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]){2|H<1>}	H(C[5]C[5]N[5]C)	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	109.7252	1.978	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6840	0.000	1	109.6840	0.000	1	109.1472	0.410	4	109.7252	1.978	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H){1|O<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7690	0.000	1	108.7690	0.000	1	109.1472	0.410	4	109.7252	1.978	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH){1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4410	0.000	1	108.4410	0.000	1	109.1472	0.410	4	109.7252	1.978	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H){1|O<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(OC){1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6950	0.000	1	109.6950	0.000	1	109.1472	0.410	4	109.7252	1.978	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.2670	0.000	1	109.2670	0.000	1	110.1090	2.277	11	110.1090	2.277	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	109.1450	0.335	3	109.1450	0.113	3	110.1090	2.277	11	110.1090	2.277	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(C[5]C[5]N[5]C)	110.3195	0.581	2	110.3195	0.337	2	110.1090	2.277	11	110.1090	2.277	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	H(C[5]C[5]N[5]C)	109.9620	0.083	3	109.9620	0.007	3	110.1090	2.277	11	110.1090	2.277	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]O){2|H<1>}	H(C[5]C[5]N[5]C)	114.3840	0.000	1	114.3840	0.000	1	110.1090	2.277	11	110.1090	2.277	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(C[5]C[5]N[5]C)	109.5880	0.000	1	109.5880	0.000	1	110.1090	2.277	11	110.1090	2.277	11	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H)	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	H(C[5]C[5,6]N[5]Si)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H){2|C<3>,4|C<4>,6|H<1>}	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]Si)	104.9270	0.000	1	104.9270	0.000	1	104.9270	0.000	1	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH){2|C<3>}	H(C[5]C[5]N[5]C)	109.4810	0.000	1	109.4810	0.000	1	108.5472	0.423	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.2720	0.000	1	108.2160	0.217	4	108.5472	0.423	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.1973	0.569	3	108.2160	0.217	4	108.5472	0.423	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	108.9380	0.000	1	108.9380	0.000	1	108.5472	0.423	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]I)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){2|I<1>}	N[5](C[5]C[5]CH)(C[5]C[5]I)(SC[6a]OO){1|I<1>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9680	0.000	1	108.9680	0.000	1	109.5410	0.469	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]N)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H){1|N<3>}	N[5](C[5]C[5]CH)(C[5]N[5]N)(SC[6a]OO){2|C<4>}	H(C[5]C[5]N[5]C)	109.8110	0.000	1	109.8110	0.000	1	109.5410	0.469	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0950	0.000	2	109.0950	0.000	2	109.5410	0.469	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4940	0.000	1	109.4940	0.000	1	109.5410	0.469	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.7830	0.000	1	110.7830	0.000	1	109.5410	0.469	6	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H)	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7535	0.144	2	109.7535	0.021	2	109.7535	0.021	2	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	H(C[5]C[5]2N[5])	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	108.9804	1.668	17	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]CH)(H){2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	111.2680	0.000	1	111.2680	0.000	1	109.8380	4.090	2	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H){1|C<3>,1|N<2>,4|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]C)	108.4080	0.000	1	108.4080	0.000	1	109.8380	4.090	2	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.9870	0.000	1	108.9870	0.000	1	109.9845	0.461	4	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.3690	0.000	1	110.3690	0.000	1	109.9845	0.461	4	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H){1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.4520	0.000	1	110.4520	0.000	1	109.9845	0.461	4	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.1300	0.000	1	110.1300	0.000	1	109.9845	0.461	4	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	110.2755	0.115	2	110.2755	0.013	2	110.2755	0.013	2	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H){1|S<2>,5|C<3>}	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H){1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]N[5]C)	109.1785	0.168	2	109.1785	0.028	2	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(H){4|H<1>}	H(C[5]C[5]N[5]C)	109.2605	0.285	2	109.2605	0.081	2	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]C)	107.3620	0.115	2	107.3620	0.013	2	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	N[5](C[5]C[5]CH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(H){4|H<1>}	H(C[5]C[5]N[5]C)	107.7463	0.582	4	107.7463	0.339	4	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H){2|F<1>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){2|F<1>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8025	0.301	2	108.8025	0.090	2	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]C)	109.6680	0.000	1	109.6680	0.000	1	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.2390	0.000	1	108.2390	0.000	1	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]CP)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<4>,1|P<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]CP)(H){4|H<1>}	H(C[5]C[5]N[5]C)	108.0000	0.000	1	108.0000	0.000	1	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)2(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(H){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	110.3955	1.993	2	110.3955	3.973	2	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	114.5580	0.000	1	111.8785	14.359	2	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1990	0.000	1	111.8785	14.359	2	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){3|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5510	0.000	1	109.5510	0.000	1	109.0099	2.857	20	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:P[5]-4:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(P[5]O[5]NO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H){1|N<3>,1|O<1>}	N[5](C[5]C[5]CH)(P[5]O[5]NO)(H){2|H<1>}	H(C[5]C[5]N[5]C)	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H)	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8570	0.000	1	108.8570	0.000	1	108.1440	0.280	4	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H)	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H){2|C<3>,2|O<1>}	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	108.1350	0.000	1	108.1350	0.000	1	108.1440	0.280	4	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H){2|O<1>}	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H){1|H<1>,1|P<4>}	H(C[5]C[5]N[5]C)	107.7920	0.287	2	107.7920	0.082	2	108.1440	0.280	4	109.1571	2.187	34	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H){1|C<4>,1|O<2>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]C)	108.7680	0.000	1	108.7680	0.000	1	109.8540	0.488	5	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]C)	110.1255	0.400	4	110.1255	0.160	4	109.8540	0.488	5	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H){2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(OC){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H){2|C<4>}	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.1950	0.163	2	110.1950	0.026	2	109.8697	0.331	3	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.2190	0.000	1	109.2190	0.000	1	109.8697	0.331	3	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	H(C[5]C[5]N[5]C)	115.2770	0.000	1	115.2770	0.000	1	111.1180	7.731	4	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6]){4|H<1>}	H(C[5]C[5]N[5]C)	109.7410	0.000	1	109.7410	0.000	1	111.1180	7.731	4	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	H(C[5]C[5]N[5]C)	109.7270	0.362	2	109.7270	0.131	2	111.1180	7.731	4	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H){1|C<3>}	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	108.4340	0.000	1	108.4340	0.000	1	108.7820	0.242	2	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:N[5]-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H){1|C<3>}	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1300	0.000	1	109.1300	0.000	1	108.7820	0.242	2	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(SC[6a]OO)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]CH)(SC[6a]OO)(O[5]C[5]){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7100	0.165	2	109.7100	0.027	2	109.7100	0.027	2	110.0032	2.028	18	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0590	0.000	1	109.0590	0.000	1	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)2(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	112.0950	0.000	1	112.0950	0.000	1	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	N[5](C[5]C[5]CH)2(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	H(C[5]C[5]N[5]C)	106.6525	0.151	4	106.6525	0.023	4	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.5240	0.000	1	109.5240	0.000	1	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	H(C[5]C[5]N[5]C)	109.0530	0.000	1	109.0530	0.000	1	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]O)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]O){4|H<1>}	H(C[5]C[5]N[5]C)	109.0350	0.202	2	109.0350	0.041	2	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	H(C[5]C[5]N[5]C)	109.4225	2.872	2	109.4225	8.246	2	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){2|H<1>}	H(C[5]C[5]N[5]C)	110.0705	0.269	2	110.0705	0.073	2	108.8141	3.269	14	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H)	N[5](C[5]C[5]CH)2(NPdC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(NPdC){4|H<1>}	H(C[5]C[5]N[5]C)	109.0740	0.948	2	109.0740	0.898	2	108.7683	1.548	13	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H){1|C<2>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.2490	1.232	8	108.2490	1.517	8	108.7683	1.548	13	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC){4|H<1>}	H(C[5]C[5]N[5]C)	110.5360	0.000	1	110.5360	0.000	1	108.7683	1.548	13	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NPdC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NPdC){4|H<1>}	H(C[5]C[5]N[5]C)	109.6560	0.126	2	109.6560	0.016	2	108.7683	1.548	13	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	H(C[5]C[5]N[5]P)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]P)	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO)	H(C[5]C[5]N[5]S)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO){4|H<1>}	H(C[5]C[5]N[5]S)	110.0730	0.000	1	110.0730	0.000	1	110.6900	0.288	3	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O)	H(C[5]C[5]N[5]S)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]S)	110.9985	0.071	2	110.9985	0.005	2	110.6900	0.288	3	108.9566	2.399	31	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){3|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]C)	109.2980	0.000	1	109.2980	0.000	1	109.4642	0.071	10	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[3,5]CH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){1|C<4>,2|H<1>}	N[5](C[5]C[3,5]CH)2(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]C)	109.5577	0.372	3	109.5577	0.138	3	109.4642	0.071	10	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|C<4>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]C)	109.5690	0.000	1	109.5690	0.000	1	109.4642	0.071	10	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	N[5](C[5]C[3,5]CH)2(SC[6a]OO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|H<1>,2|C<4>}	N[5](C[5]C[3,5]CH)2(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]N[5]C)	109.4537	0.138	3	109.4537	0.019	3	109.4642	0.071	10	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H){3|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|O<2>,2|H<1>}	H(C[5]C[3,5]N[5]C)	109.3705	0.491	2	109.3705	0.242	2	109.4642	0.071	10	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH)	H(C[5]C[5,5,6]N[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H){3|C<4>,7|H<1>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH){1|H<1>,3|C<4>}	H(C[5]C[5,5,6]N[5]C)	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H){3|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3){1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]C)	108.5910	0.000	1	108.5910	0.000	1	107.8773	1.900	6	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H)	N[5](C[5]C[5,5]CH)2(CCHH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]CH)2(CCHH){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	105.4670	0.000	1	105.4670	0.000	1	107.8773	1.900	6	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	106.9860	0.000	1	106.9860	0.000	1	107.8773	1.900	6	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5,5]CH)2(CH3)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]CH)2(CH3){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.4560	0.000	1	108.4560	0.000	1	107.8773	1.900	6	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){1|C<3>,1|N<2>,2|C<4>}	H(C[5]C[5,5]N[5]C)	109.0100	0.000	1	109.0100	0.000	1	107.8773	1.900	6	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]C)	108.7540	0.000	1	108.7540	0.000	1	107.8773	1.900	6	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]C)	107.4590	0.102	3	107.4590	0.010	3	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	109.4590	0.000	1	109.4590	0.000	1	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H){3|C<4>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	109.4600	0.000	1	109.4600	0.000	1	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	110.6447	0.461	3	110.5127	0.212	4	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){3|C<4>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	110.1170	0.000	1	110.5127	0.212	4	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	109.6100	0.078	2	109.6100	0.006	2	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5,5]CH)2(SCOO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)2(SCOO){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]C)	109.8300	0.406	4	109.8300	0.165	4	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5,5]CH)2(SCOO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]CH)2(SCOO){2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5]C)	109.2275	0.170	4	109.2275	0.029	4	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SCOO){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.2560	0.000	1	108.2560	0.000	1	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>,2|C<4>,6|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.9470	0.000	1	108.9470	0.000	1	109.3333	0.994	21	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]CH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H){2|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]C)	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.0250	0.000	1	108.7820	0.118	2	109.2862	0.346	19	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){2|C<4>,5|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	108.5390	0.000	1	108.7820	0.118	2	109.2862	0.346	19	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.2340	0.000	1	109.2985	0.008	2	109.2862	0.346	19	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){2|C<4>,5|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.3630	0.000	1	109.2985	0.008	2	109.2862	0.346	19	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.0512	0.531	5	109.0512	0.281	5	109.2862	0.346	19	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.4044	0.773	5	109.4044	0.597	5	109.2862	0.346	19	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.5998	0.559	5	109.5998	0.312	5	109.2862	0.346	19	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0137	0.479	3	109.0070	0.153	4	109.0070	0.153	4	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9870	0.000	1	109.0070	0.153	4	109.0070	0.153	4	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH){1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]C)	109.5740	0.000	1	109.6475	0.011	2	109.6475	0.011	2	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.7210	0.000	1	109.6475	0.011	2	109.6475	0.011	2	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH){3|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	108.9510	0.000	1	108.9510	0.000	1	108.6812	0.374	5	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){3|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	108.4867	0.779	3	108.4867	0.606	3	108.6812	0.374	5	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){3|O<2>,4|H<1>}	H(C[5]C[5]N[5]C)	108.9950	0.000	1	108.9950	0.000	1	108.6812	0.374	5	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH)	H(C[5]C[5]N[5]C)	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H){2|Br<1>,1|H<1>,1|N<3>}	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH){2|Br<1>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7920	0.000	1	108.7920	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]C)	109.7330	0.000	1	109.7330	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5520	0.000	1	109.5520	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7670	0.000	1	108.7670	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	H(C[5]C[5]N[5]C)	109.6830	0.000	1	109.6830	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){4|H<1>}	H(C[5]C[5]N[5]C)	109.3655	0.078	2	109.3655	0.006	2	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1170	0.000	1	108.1170	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.6060	0.000	1	109.6060	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	H(C[5]C[5]N[5]C)	113.0740	0.000	1	113.0740	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH){4|H<1>}	H(C[5]C[5]N[5]C)	110.1767	0.181	3	110.1767	0.033	3	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.4630	0.000	1	109.4630	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	H(C[5]C[5]N[5]C)	108.9820	0.267	2	108.9820	0.071	2	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CCHH){4|H<1>}	H(C[5]C[5]N[5]C)	108.4185	0.937	2	108.4185	0.878	2	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(CH3){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.2970	0.000	1	109.2970	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.8360	0.072	2	109.8360	0.005	2	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	H(C[5]C[5]N[5]C)	109.2980	1.067	3	109.2980	1.139	3	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7120	0.000	1	108.7120	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6980	0.000	1	108.6980	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	N[5](C[5]C[5]CH)2(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(CH3){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.5090	0.000	1	109.5090	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.2520	0.000	1	109.2520	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	108.0860	0.000	1	108.0860	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	113.6460	0.000	1	113.6460	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9056	1.585	5	108.9056	2.514	5	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.4500	0.000	1	109.3180	0.480	4	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.2740	0.841	3	109.3180	0.480	4	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5]N[5]C)	108.4755	0.182	4	108.4721	0.062	7	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(C[5]C[5]N[5]C)	108.1590	0.000	1	108.4721	0.062	7	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]C)	108.6220	0.362	2	108.4721	0.062	7	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8005	0.310	2	109.8005	0.096	2	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.7739	0.559	8	108.7739	0.313	8	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	112.6860	0.000	1	112.6860	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6945	0.098	2	109.6072	0.024	4	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.5200	0.180	2	109.6072	0.024	4	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7490	0.000	1	109.7490	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4180	0.000	1	108.4180	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.4320	0.000	1	110.4320	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9115	0.323	2	109.9115	0.104	2	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7190	0.000	1	109.7190	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H){2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH){2|H<1>}	H(C[5]C[5]N[5]C)	110.1140	0.000	1	110.1140	0.000	1	109.3512	1.252	68	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PC[6a]2Rh)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PC[6a]2Rh){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6880	0.000	1	108.6880	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5650	0.000	1	109.5650	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.4680	0.000	1	109.7670	0.067	3	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9370	0.000	1	109.7670	0.067	3	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8960	0.000	1	109.7670	0.067	3	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.8830	2.175	2	108.8830	4.731	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.9150	0.000	1	110.9150	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4140	0.000	1	109.4140	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|Cl<1>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.2735	0.241	2	109.2735	0.058	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.0100	0.000	1	109.0100	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){1|F<1>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,3|H<1>}	H(C[5]C[5]N[5]C)	108.2820	0.000	1	108.2820	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[5a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[5a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.1190	0.000	1	109.1190	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.4885	0.631	2	109.4885	0.399	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	108.6040	0.956	4	108.6040	0.914	4	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	107.8995	0.128	2	107.8995	0.016	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|O<2>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9680	0.000	1	109.9680	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6490	0.000	1	109.6490	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SNOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SNOO){4|H<1>}	H(C[5]C[5]N[5]C)	109.7950	0.000	1	109.7950	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.8625	0.155	2	109.8423	0.013	3	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.8020	0.000	1	109.8423	0.013	3	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6970	0.000	1	109.6970	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	108.3990	0.000	1	108.3990	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.1780	0.000	1	109.1780	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	108.1460	0.000	1	108.1460	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.2150	0.000	1	110.2150	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.6930	0.000	1	110.6930	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.2230	0.000	1	109.2230	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.6060	0.000	1	109.6060	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.7235	0.115	2	109.7235	0.013	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.1440	0.000	1	110.0950	0.005	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.0460	0.000	1	110.0950	0.005	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.5130	0.199	2	110.5130	0.040	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.8150	0.000	1	109.8150	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2880	0.000	1	109.7220	0.635	3	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.4390	0.888	2	109.7220	0.635	3	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	110.1240	0.000	1	110.1240	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2225	0.466	2	109.2225	0.217	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)2(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4830	0.000	1	108.4830	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]C)	108.7460	0.000	1	108.7460	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.7360	0.000	1	109.7360	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8930	0.000	1	109.8930	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0880	0.000	1	109.0880	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.8410	0.000	1	108.8410	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	109.4020	0.553	2	109.4020	0.306	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	109.9075	0.148	2	109.9075	0.022	2	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	110.2760	0.000	1	110.2760	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	H(C[5]C[5]N[5]C)	110.3660	0.000	1	110.3660	0.000	1	109.4452	0.624	61	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SiCOO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SiCOO){4|H<1>}	H(C[5]C[5]N[5]C)	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	108.6683	0.249	4	108.6683	0.062	4	108.6683	0.062	4	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5840	0.031	2	108.5840	0.001	2	108.7913	0.129	3	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H){1|C<4>,2|O<1>}	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.2060	0.000	1	109.2060	0.000	1	108.7913	0.129	3	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	108.6057	0.292	3	108.6057	0.085	3	108.6057	0.085	3	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	Si[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H)	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.1865	0.094	2	109.1865	0.009	2	109.1865	0.009	2	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	109.0840	0.206	3	109.0840	0.042	3	109.0840	0.042	3	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:P[5,5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5]C[6]N[5])	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	109.2790	0.869	217	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	5:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	As[5,5]-5:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H)	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.6025	0.301	2	108.6025	0.090	2	108.6025	0.090	2	108.6025	0.090	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:3:4:1:	5:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	Si-5:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	N[5](SiC[6]LiCO)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	N[5](SiC[6]LiCO)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	H(C[5]C[5]N[5]C)	109.7670	0.071	2	109.7670	0.005	2	109.7670	0.005	2	109.7670	0.005	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	3:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	110.4048	1.965	4	110.4048	3.860	4	110.4048	3.860	4	110.4048	3.860	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2N[5])	109.6200	0.000	1	109.6372	0.103	4	109.7382	0.128	5	109.7382	0.128	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2N[5])	109.6430	0.393	3	109.6372	0.103	4	109.7382	0.128	5	109.7382	0.128	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:2:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2N[5])	110.1420	0.000	1	110.1420	0.000	1	109.7382	0.128	5	109.7382	0.128	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.2555	0.284	2	108.2555	0.080	2	108.2555	0.080	2	108.9848	0.485	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:2:4:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	109.4710	0.208	3	109.4710	0.043	3	109.4710	0.043	3	108.9848	0.485	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H)	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]N[5])	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2N[5])	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5]C[4]C[5]N[5])	106.6530	0.040	2	106.6530	0.002	2	106.6530	0.002	2	104.9133	10.938	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]CH)(H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	106.3910	0.000	1	106.3910	0.000	1	106.3910	0.000	1	104.9133	10.938	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H){4|H<1>}	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[5]N[5]Si)	99.9560	0.000	1	99.9560	0.000	1	99.9560	0.000	1	104.9133	10.938	4	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.5010	0.000	1	109.5010	0.000	1	110.0300	0.126	4	109.7630	0.451	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2N[5])	110.2063	0.044	3	110.2063	0.002	3	110.0300	0.126	4	109.7630	0.451	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:2:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC){1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	109.7630	0.451	5	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]N[5])	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.1250	0.059	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	109.1250	0.059	2	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]N[5]C)	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	H(C[5]C[5]N[5]C)	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[4]C[5]N[5])	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[4]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[4]N[5])	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[4]N[5])	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3){1|Fe<10>,2|C<4>,4|H<1>}	H(C[5]C[5]2N[5])	107.6560	1.301	5	107.6560	1.693	5	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2N[5])	109.4590	0.000	1	109.4590	0.000	1	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)2(CCHH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5]2H)2(CCHH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2N[5])	105.1570	0.000	1	105.1570	0.000	1	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	109.5970	0.000	1	109.5970	0.000	1	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<2>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	109.6140	0.000	1	109.3905	0.100	2	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	109.1670	0.000	1	109.3905	0.100	2	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)2(CCHH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]2H)2(CCHH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2N[5])	108.5550	0.000	1	108.5550	0.000	1	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH){2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2N[5])	111.7900	0.000	1	111.7900	0.000	1	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Ga<4>,3|C<4>,6|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5]2N[5])	107.9270	0.000	1	107.1755	1.130	2	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|In<4>,3|C<4>,6|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5]2N[5])	106.4240	0.000	1	107.1755	1.130	2	108.2836	3.087	14	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|N<3>,3|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2N[5])	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H){1|O<2>,2|C<4>,5|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	108.4680	0.000	2	108.4680	0.000	2	108.4680	0.000	2	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	108.3990	0.000	1	108.6878	0.074	5	108.6878	0.074	5	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944
474	542	951	0:SP3_SP-NON_SP3	C[5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO){3|C<4>,4|H<1>}	H(C[5]C[5]C[6]N[5])	108.7600	0.252	4	108.6878	0.074	5	108.6878	0.074	5	108.4602	1.804	25	110.4616	1.666	5619	110.4013	1.986	8944