474	818	830	0:SP3_SP-NON_SP2	C[5,5]	C[5]	F	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:F-1:	C[5,5]-4:C-3:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F)	C[5](C[5,5]C[5,5]C[5]F)(CC[6a]C[5])(N[5]C[5]H)	F(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]F)(CC[6a]C[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	F(C[5,5]C[5,5]C[5]2)	110.1645	0.186	2	110.1645	0.035	2	110.1645	0.035	2	110.1645	0.035	2	110.1645	0.035	2	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5,6]	C[5]	F	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O)	F(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O){1|C<4>,2|C<3>,2|H<1>}	F(C[5,6]C[5,6]C[5]C[6])	108.5910	0.345	2	108.5910	0.119	2	108.5910	0.119	2	108.5910	0.119	2	108.5910	0.119	2	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5,5]	F	3:4:1:1:	3:4:2:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	N[5,5]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5])	F(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	F(C[5]C[5,5]C[5]H)	108.6100	0.832	2	108.1368	0.529	4	108.1368	0.529	4	108.1368	0.529	4	108.1368	0.529	4	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5,5]	F	3:4:1:1:	3:4:2:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	N[5,5]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5])	F(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5]){1|C<3>,5|H<1>}	F(C[5]C[5,5]C[5]H)	107.6635	0.023	2	108.1368	0.529	4	108.1368	0.529	4	108.1368	0.529	4	108.1368	0.529	4	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5,6]	F	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	F(C[5]C[5,6]C[5]F)	113.6936	1.267	24	113.8026	1.821	28	113.6632	1.719	40	113.6430	1.666	42	113.6111	1.610	44	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5,6]	F	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	F(C[5]C[5,6]C[5]F)	114.4570	1.849	4	113.8026	1.821	28	113.6632	1.719	40	113.6430	1.666	42	113.6111	1.610	44	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5,6]	F	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	F(C[5]C[5,6]C[5]F)	113.3378	1.209	12	113.3378	1.461	12	113.6632	1.719	40	113.6430	1.666	42	113.6111	1.610	44	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5,6]	F	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	F(C[5]C[5,6]C[5]F)	113.2395	0.957	2	113.2395	0.915	2	113.2395	0.915	2	113.6430	1.666	42	113.6111	1.610	44	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5,6]	F	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<4>,3|C<3>,4|F<1>}	F(C[5]C[5,6]C[5]F)	112.9410	0.035	2	112.9410	0.001	2	112.9410	0.001	2	112.9410	0.001	2	113.6111	1.610	44	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:1:1:	3:4:1:	4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,5a]O)2(F)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	F(C[5]C[5]2F)	C[5](C[5]C[5,5a]O)2(F)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	F(C[5]C[5]2F)	110.8615	0.131	2	110.9423	0.281	14	110.8833	0.299	16	110.8833	0.299	16	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:1:1:	3:4:1:	4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,5a]O)2(F)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	F(C[5]C[5]2F)	C[5](C[5]C[5,5a]O)2(F)2{2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|O<1>,1|S<2>,2|C<3>}	F(C[5]C[5]2F)	110.9558	0.573	12	110.9423	0.281	14	110.8833	0.299	16	110.8833	0.299	16	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:1:1:	3:4:1:	4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,5a]O)2(F)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O)	F(C[5]C[5]2F)	C[5](C[5]C[5,5a]O)2(F)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O){1|O<1>,2|C<3>}	F(C[5]C[5]2F)	110.4700	0.666	2	110.4700	0.444	2	110.8833	0.299	16	110.8833	0.299	16	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	F(C[5]C[5,6a]C[5]F)	109.4788	0.759	8	109.4788	0.577	8	109.4121	0.616	10	109.4121	0.616	10	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:1:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	F(C[5]C[5,6a]C[5]F)	109.1455	1.153	2	109.1455	1.330	2	109.4121	0.616	10	109.4121	0.616	10	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:1:1:	4:3:3:	4:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH){2|C<3>}	F(C[5]C[5,6a]C[5]F)	110.9065	1.422	2	110.9065	2.022	2	110.9065	2.022	2	110.9065	2.022	2	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:3:1:	4:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O){4|C<3>}	F(C[5]C[5,6a]C[6a]C[5])	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:3:1:	4:3:2:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:N[5]-3:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	F(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	F(C[5]C[5,6a]C[6a]C[5])	106.6590	0.000	1	107.0075	0.243	2	107.0075	0.243	2	107.0075	0.243	2	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:3:1:	4:3:2:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:N[5]-3:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	F(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	F(C[5]C[5,6a]C[6a]C[5])	107.3560	0.000	1	107.0075	0.243	2	107.0075	0.243	2	107.0075	0.243	2	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	3:4:2:	4:	C[5]-3:C[5]-3:C-4:F-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5])	F(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	F(C[5]C[5]2C)	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:2:1:	4:	C[5]-3:C[5]-3:C-4:F-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F)	C[5](C[5]C[5]CF)(O[5]N[5])(O)	F(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F){2|C<3>}	C[5](C[5]C[5]CF)(O[5]N[5])(O){1|C<3>}	F(C[5]C[5]2C)	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	F(C[5]C[5,6a]C[5]C)	106.4770	0.000	1	106.4255	0.005	2	107.6478	4.316	14	107.6478	4.316	14	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	F(C[5]C[5,6a]C[5]C)	106.3740	0.000	1	106.4255	0.005	2	107.6478	4.316	14	107.6478	4.316	14	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	F(C[5]C[5,6a]C[5]C)	103.9590	0.165	2	103.9590	0.027	2	107.6478	4.316	14	107.6478	4.316	14	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O){2|C<3>}	F(C[5]C[5,6a]C[5]C)	107.0280	0.000	1	107.0280	0.000	1	107.6478	4.316	14	107.6478	4.316	14	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	F(C[5]C[5,6a]C[5]C)	107.7668	1.329	4	108.1006	1.882	5	107.6478	4.316	14	107.6478	4.316	14	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|Cl<1>,1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	F(C[5]C[5,6a]C[5]C)	109.4360	0.000	1	108.1006	1.882	5	107.6478	4.316	14	107.6478	4.316	14	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	F(C[5]C[5,6a]C[5]C)	109.6923	0.271	4	109.6923	0.074	4	107.6478	4.316	14	107.6478	4.316	14	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:3:4:1:	4:3:2:	4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N[5]-3:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS)	F(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS){2|C<3>}	F(C[5]C[5,6a]C[5]C)	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	F(C[5]C[5]2F)	113.5865	0.678	2	113.5865	0.460	2	113.5865	0.460	2	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	113.1980	2.428	5	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.3055	3.408	2	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.7540	2.242	2	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.2040	0.018	2	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.5709	1.566	169	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	F(C[5]C[5]2F)	112.7750	0.311	2	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	113.0796	1.298	8	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.5955	0.984	2	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.2855	3.129	2	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.9655	1.494	4	112.6102	2.471	198	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	111.9335	0.243	2	112.2635	1.650	4	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.5935	2.111	2	112.2635	1.650	4	112.6033	2.449	202	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	111.9940	1.271	2	112.4390	1.104	6	112.5849	1.525	10	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.6615	1.050	4	112.4390	1.104	6	112.5849	1.525	10	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){4|C<3>,6|F<1>}	F(C[5]C[5]2F)	112.8037	1.621	4	112.8037	2.628	4	112.5849	1.525	10	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.6275	1.175	4	112.6275	1.382	4	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|O<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	F(C[5]C[5]2F)	112.1330	0.561	2	112.5314	2.363	60	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	F(C[5]C[5]2F)	113.0517	1.457	8	112.5314	2.363	60	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.4641	1.575	50	112.5314	2.363	60	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	F(C[5]C[5]2F)	113.0850	2.602	2	113.0850	6.771	2	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.7101	1.469	16	112.8288	2.500	22	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|N<2>,1|O<2>,1|S<2>,2|C<3>,4|F<1>}	F(C[5]C[5]2F)	113.0858	1.806	4	112.8288	2.500	22	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	F(C[5]C[5]2F)	113.2640	3.079	2	112.8288	2.500	22	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.3985	1.592	2	112.5605	1.287	18	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.7193	1.114	12	112.5605	1.287	18	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|C<3>,2|N<2>,4|F<1>}	F(C[5]C[5]2F)	112.3670	1.310	2	112.5605	1.287	18	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,4|C<3>,4|F<1>}	F(C[5]C[5]2F)	111.9630	1.684	2	112.5605	1.287	18	112.6121	2.158	106	112.6118	2.304	320	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:4:3:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|C<4>,2|C<3>,2|S<2>,4|F<1>}	F(C[5]C[5]2F)	112.7960	2.131	2	112.8473	3.551	4	112.8473	3.551	4	112.8473	3.551	4	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:1:1:	3:4:3:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	F(C[5]C[5]2F)	112.8985	2.470	2	112.8473	3.551	4	112.8473	3.551	4	112.8473	3.551	4	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:3:1:	3:3:4:	4:	C[5]-3:C[5]-4:C-3:F-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	F(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F){1|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	F(C[5]C[5]2C)	109.5960	1.706	2	109.5960	2.909	2	109.5960	2.909	2	109.5960	2.909	2	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	F(C[5]C[5,6a]C[5]2)	106.6600	0.000	1	106.6600	0.000	1	106.5100	0.045	2	106.9913	0.718	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	F(C[5]C[5,6a]C[5]2)	106.3600	0.000	1	106.3600	0.000	1	106.5100	0.045	2	106.9913	0.718	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[6]-4:C[5]-3:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F)	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O)	F(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	F(C[5]C[5,6a]C[5]C[6])	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	106.9913	0.718	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.4475	0.397	2	112.4742	0.237	4	112.4742	0.237	4	112.4742	0.237	4	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	F(C[5]C[5]2F)	112.5010	0.742	2	112.4742	0.237	4	112.4742	0.237	4	112.4742	0.237	4	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	3:4:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O){2|F<1>,3|C<3>}	F(C[5]C[5]2F)	110.9510	4.649	2	110.9510	21.609	2	110.5375	7.451	4	110.0125	5.873	6	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	3:4:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O)	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|C<3>,1|S<2>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O){1|S<2>,2|C<3>,2|H<1>}	F(C[5]C[5]2F)	110.1240	0.247	2	110.1240	0.061	2	110.5375	7.451	4	110.0125	5.873	6	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	3:4:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(O)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(O){1|C<4>,2|C<3>,3|H<1>}	F(C[5]C[5]2F)	108.9625	1.924	2	108.9625	3.702	2	108.9625	3.702	2	110.0125	5.873	6	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2{8|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	F(C[5]C[5,5]C[5]F)	111.8635	2.675	2	111.8635	7.156	2	111.8635	7.156	2	111.8635	7.156	2	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	4:3:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]H)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|H<1>}	F(C[5]C[5]2F)	111.6340	2.120	2	111.6340	4.494	2	111.6340	4.494	2	111.4532	1.744	4	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	4:3:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]F)(O)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|C<3>,1|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]F)(O){1|C<3>,2|F<1>}	F(C[5]C[5]2F)	111.2725	0.780	2	111.2725	0.608	2	111.2725	0.608	2	111.4532	1.744	4	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	4:3:2:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a])	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|O<2>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a]){4|F<1>}	F(C[5]C[5]2F)	111.9305	0.771	8	111.9305	0.595	8	111.5755	1.574	10	111.5755	1.574	10	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	4:3:2:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH)	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH){1|C<3>,3|H<1>}	F(C[5]C[5]2F)	110.1555	2.228	2	110.1555	4.964	2	111.5755	1.574	10	111.5755	1.574	10	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	4:3:3:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|C<3>,1|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|C<3>,2|F<1>}	F(C[5]C[5]2F)	112.7925	1.373	4	112.2588	1.918	6	112.2588	1.918	6	112.2588	1.918	6	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:1:1:	4:3:3:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|F<1>,1|O<1>}	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|O<1>,2|F<1>}	F(C[5]C[5]2F)	111.1915	0.716	2	112.2588	1.918	6	112.2588	1.918	6	112.2588	1.918	6	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:2:1:	4:2:1:	4:	C[5]-4:C[5]-3:S-2:F-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F)	C[5](C[5]C[5]FS)(O[5]C[5])(O)	F(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F){1|C<3>,1|H<1>}	C[5](C[5]C[5]FS)(O[5]C[5])(O){1|C<3>,3|H<1>}	F(C[5]C[5]2S)	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:3:1:	3:4:1:	4:	C[5]-4:C[5]-3:C-3:F-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O)	F(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O){2|H<1>,3|C<3>}	F(C[5]C[5]2C)	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	108.0427	2.214	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:3:1:	3:4:1:	4:	C[5]-4:C[5]-3:C[5]-3:F-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F)	C[5](N[5]C[6a]N[5])(C[5]C[5]2F)(O)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F){1|N<3>,1|O<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2F)(O){1|N<3>,5|C<3>}	F(C[5]C[5]3)	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	108.0427	2.214	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:3:1:	3:4:1:	4:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O)	F(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O){3|H<1>,4|C<3>}	F(C[5]C[6a]C[5]2)	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	108.0427	2.214	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:3:1:	3:4:2:	4:	C[5]-4:C[5]-3:C[5]-3:F-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5])	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F){1|N<3>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	F(C[5]C[5]3)	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:3:1:	4:3:1:	4:	C[5]-4:C[5]-3:C-3:F-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F)	C[5](C[5]C[5]CF)(N[5]C[5]H)(O)	F(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F){3|H<1>}	C[5](C[5]C[5]CF)(N[5]C[5]H)(O){4|H<1>}	F(C[5]C[5]2C)	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:4:1:	4:2:1:	4:	C[5]-4:C[5]-3:C-4:F-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F)	C[5](C[5]C[5]CF)(O[5]C[5])(O)	F(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F){1|C<4>,1|H<1>}	C[5](C[5]C[5]CF)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	F(C[5]C[5]2C)	103.9965	0.729	2	103.9965	0.531	2	103.9965	0.531	2	103.9965	0.531	2	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:3:4:1:	4:3:1:	4:	C[5]-4:C[5]-3:S-4:F-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F)	C[5](C[5]C[5]FS)(N[5]C[5]O)(H)	F(C[5]C[5]2S)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]FS)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	F(C[5]C[5]2S)	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:4:3:1:	3:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|O<2>,3|H<1>,4|C<3>}	F(C[5]C[5]3)	104.0920	0.000	1	104.0920	0.000	1	105.8267	9.633	3	105.8267	9.633	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:4:3:1:	3:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|O<2>,3|H<1>,4|C<3>}	F(C[5]C[5]3)	109.4100	0.000	1	109.4100	0.000	1	105.8267	9.633	3	105.8267	9.633	3	111.9589	4.601	421	112.0585	4.675	473
474	818	830	0:SP3_SP-NON_SP2	C[5]	C[5]	F	4:4:3:1:	3:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|N<3>,3|H<1>,4|C<3>}	F(C[5]C[5]3)	103.9780	0.000	1	103.9780	0.000	1	105.8267	9.633	3	105.8267	9.633	3	111.9589	4.601	421	112.0585	4.675	473
474	818	838	6:SP3_SP-NON_SP2	C[5,5,6]	C[5,6]	Ga[5,6]	3:4:3:1:	4:3:1:	4:3:3:	Ga[5,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:Ga[5,6]-3:C[6a]-3:	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]Ga[5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]Ga[5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Ga<3>,1|C<3>,3|H<1>}	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	91.1901	6.791	2	91.1901	46.119	2	91.1901	46.119	2	91.1901	46.119	2	91.1901	46.119	2	91.1901	46.119	2
474	818	846	5:SP3_SP2_SP2	C[5,5]	C[5]	C[4,5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[4,5]-3:C[4]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O)	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O)	C[4,5](C[5,5]C[5,6a]2C[5])(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O){1|C<4>,7|C<3>}	C[4,5](C[5,5]C[5,6a]2C[5])(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a]){1|O<1>,9|C<3>}	98.8702	0.000	1	98.8702	0.000	1	98.8702	0.000	1	98.8702	0.000	1	98.8702	0.000	1	98.8702	0.000	1
474	818	849	0:SP3_SP2_SP3	C[5,6]	C[5,6]	P[6]	4:3:3:4:	4:4:3:	4:2:2:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:O[6]-2:O[6]-2:O-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH)	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH){1|O<1>,2|O<2>,7|C<3>}	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	107.6967	3.096	3	107.6967	9.585	3	107.6967	9.585	3	107.6967	9.585	3	107.6967	9.585	3	107.9432	6.052	5
474	818	849	0:SP3_SP2_SP3	C[5,6]	C[5]	P[6]	4:4:3:1:	4:3:1:	4:3:3:4:	C[5,6]-4:P[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H)	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H){3|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H){1|B<4>,2|C<3>,2|H<1>,5|C<4>}	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|H<1>,5|C<3>,5|C<4>}	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	107.9432	6.052	5
474	818	849	0:SP3_SP2_SP3	C[5]	C[5]	P[6]	3:4:3:1:	4:3:3:	4:2:2:1:	C[5,6a]-3:P[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:O[6]-2:O[6]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC)	P[6](C[5]C[5,6a]C[5]H)(O[6]C[6])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC){1|O<1>,2|C<3>,2|O<2>}	P[6](C[5]C[5,6a]C[5]H)(O[6]C[6])2(O){1|C<4>,4|C<3>,4|H<1>}	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	107.9432	6.052	5
474	818	854	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:	4:4:4:4:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(O)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	112.5438	8.808	4
474	818	854	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:3:1:	4:4:4:1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9025	0.014	2	111.1570	1.674	3	112.5438	8.808	4
474	818	854	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:3:1:	4:4:4:1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	111.9025	0.014	2	111.1570	1.674	3	112.5438	8.808	4
474	818	854	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:4:3:4:	4:3:1:	4:4:4:1:	C[5]-4:N[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O)	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	111.1570	1.674	3	112.5438	8.808	4
474	818	856	0:SP3_SP2_SP2	C[5,6,6]	C[5]	N[6]	3:4:3:3:	4:3:1:	4:4:3:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O)	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.9830	0.000	2	110.9830	0.000	2	110.9830	0.000	2	110.9830	0.000	2	110.9830	0.000	2	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6,6]	3:4:3:2:	4:3:1:	4:3:4:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O)	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.9540	0.000	1	111.9540	0.000	1	113.6300	5.618	2	113.6300	5.618	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	115.3060	0.000	1	115.3060	0.000	1	113.6300	5.618	2	113.6300	5.618	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	111.7443	0.288	3	111.7443	0.083	3	111.7443	0.083	3	111.5934	1.108	7	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	110.9515	0.312	2	110.9515	0.097	2	110.9515	0.097	2	111.5934	1.108	7	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:N[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5])	C[5](C[5,6]N[6]2O[5])(N[5]C[6a]C[5])(O)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<2>,2|O<1>,5|C<3>}	C[5](C[5,6]N[6]2O[5])(N[5]C[6a]C[5])(O){1|N<2>,6|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	112.0090	2.268	2	112.0090	5.146	2	112.0090	5.146	2	111.5934	1.108	7	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	3:4:1:	3:4:4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	110.9048	1.963	4	110.9048	3.853	4	110.9048	3.853	4	110.9048	3.853	4	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	3:4:1:	4:3:3:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|O<1>,2|H<1>,5|C<3>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,6|C<3>}	109.9810	2.041	2	109.9810	4.164	2	109.9810	4.164	2	109.9810	4.164	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	3:4:3:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	109.3940	2.536	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	109.3940	2.536	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:3:2:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.1995	0.187	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){6|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	108.8940	0.000	1	108.8940	0.000	1	108.8940	0.000	1	109.1995	0.187	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	110.5790	1.204	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH)	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH){2|H<1>,6|C<3>}	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H){7|C<3>}	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	110.5790	1.204	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:3:4:	4:4:1:	4:4:3:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O){1|N<2>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	103.6590	0.000	1	103.6590	0.000	1	103.6590	0.000	1	103.6590	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	114.2800	0.000	1	113.3715	1.651	2	113.3715	1.651	2	113.3715	1.651	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.4630	0.000	1	113.3715	1.651	2	113.3715	1.651	2	113.3715	1.651	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	112.5735	0.022	2	111.6157	2.753	3	111.6157	2.753	3	110.0236	7.429	5	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	109.7000	0.000	1	111.6157	2.753	3	111.6157	2.753	3	110.0236	7.429	5	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	106.0230	0.000	1	107.6355	5.200	2	107.6355	5.200	2	110.0236	7.429	5	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	109.2480	0.000	1	107.6355	5.200	2	107.6355	5.200	2	110.0236	7.429	5	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:2:	4:3:4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:2:	4:4:4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){4|C<3>,4|C<4>,4|H<1>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:2:2:	4:3:3:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:N-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a])	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	111.6860	1.013	2	111.6860	1.025	2	111.6860	1.025	2	111.6860	1.025	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.0485	1.298	2	110.0485	1.684	2	110.0485	1.684	2	110.0485	1.684	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.7610	0.000	1	111.7610	0.000	1	111.7610	0.000	1	111.7610	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:3:1:	4:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.3730	0.000	1	110.3510	0.001	2	110.3510	0.001	2	110.3510	0.001	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:3:1:	4:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.3290	0.000	1	110.3510	0.001	2	110.3510	0.001	2	110.3510	0.001	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:3:1:	4:4:3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	111.6240	1.634	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:3:1:	4:4:3:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO)	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,5|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	111.6240	1.634	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	3:4:3:3:	4:3:4:	4:3:3:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	113.3985	0.436	2	113.3985	0.190	2	113.3985	0.190	2	113.3985	0.190	2	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:1:	4:2:1:	4:3:1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:3:4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(N[5]C[5,5]H)(O)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,5,6]N[6]H)(N[5]C[5,5]H)(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	116.6060	0.025	2	116.6060	0.001	2	116.6060	0.001	2	114.5138	2.747	10	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	114.5138	2.747	10	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	114.3829	0.928	7	114.3829	0.862	7	114.3829	0.862	7	114.5138	2.747	10	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:4:3:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]N[6]H)(N[5]C[5,6]C)(O)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]N[6]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,3|C<3>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H){1|C<4>,1|O<1>,2|N<3>,4|C<3>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:4:	4:3:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(N[5]C[5,6]C[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(N[5]C[5,6]C[6a])(O){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:3:3:4:	4:4:1:	4:4:3:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	106.2950	0.000	1	106.2950	0.000	1	106.2950	0.000	1	106.2950	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:4:3:3:	4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5,6]	C[5]	N[6]	4:4:3:3:	4:3:1:	4:4:3:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO)	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,6|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	111.4026	6.220	62	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP2	C[5]	C[5]	N[6]	3:3:3:1:	3:4:1:	3:4:3:	C[5]-3:C[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[6]-3:C[5]-4:C[6]-3:	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	114.6465	0.462	2	114.6465	0.213	2	114.6465	0.213	2	114.6465	0.213	2	114.6465	0.213	2	111.4349	6.260	67
474	818	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	3:4:3:3:	4:3:1:	4:4:3:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,3x6]-4:C[6]-4:C[6]-3:	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O)	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,5|C<4>}	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	N[6]	4:2:3:3:	4:2:4:	4:4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	C[5,5,6]-4:N[5,6]-2:C-4:	C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH)	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,5|H<1>}	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	3:3:3:3:	3:4:3:	4:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<3>}	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{1|C<4>,4|H<1>,6|C<3>}	110.4200	0.000	1	111.3875	1.872	2	111.3875	1.872	2	111.3875	1.872	2	111.8010	1.449	3	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	3:3:3:3:	3:4:3:	4:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<3>}	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{1|C<4>,4|H<1>,6|C<3>}	112.3550	0.000	1	111.3875	1.872	2	111.3875	1.872	2	111.3875	1.872	2	111.8010	1.449	3	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	3:3:3:3:	4:4:3:	4:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{2|C<4>,4|H<1>,5|C<3>}	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	111.8010	1.449	3	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H)	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	112.1685	0.155	2	112.1685	0.024	2	112.1685	0.024	2	112.1685	0.024	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:3:3:	3:4:1:	3:4:1:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){1|H<1>,2|O<1>,6|C<3>}	112.3080	1.909	2	112.3080	3.645	2	112.3080	3.645	2	112.3080	3.645	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:3:3:	3:4:1:	3:4:4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	110.7583	1.888	16	110.7583	3.565	16	110.7583	3.565	16	110.7583	3.565	16	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	3:4:4:	C[5,6a]-3:N[6]-3:N[6]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O)	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O){2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	111.9815	0.599	2	111.9815	0.359	2	111.9815	0.359	2	111.9815	0.359	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<3>,3|O<1>}	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	111.3240	0.400	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:4:1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	111.3240	0.400	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	110.5530	2.142	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	110.5530	2.142	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H){1|C<4>,2|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:2:1:	4:4:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(O){3|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H){1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.5980	0.000	1	111.3855	0.090	2	111.4323	0.052	3	111.4323	0.052	3	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H){1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.1730	0.000	1	111.3855	0.090	2	111.4323	0.052	3	111.4323	0.052	3	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.5260	0.000	1	111.5260	0.000	1	111.4323	0.052	3	111.4323	0.052	3	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:2:3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-2:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	117.5880	0.859	6	117.5880	0.738	6	117.5880	0.738	6	117.5880	0.738	6	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO){1|H<1>,3|C<3>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	110.7750	0.332	3	110.7750	0.111	3	110.7750	0.111	3	110.7750	0.111	3	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:2:	4:4:1:	4:4:4:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O)	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O){1|C<3>,2|H<1>,6|C<4>}	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	113.4590	0.113	2	113.4590	0.013	2	113.4590	0.013	2	113.4590	0.013	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:4:	4:4:1:	4:4:1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	109.5015	1.422	2	109.5015	2.022	2	109.5015	2.022	2	109.5015	2.022	2	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:2:1:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(O){1|C<4>,2|C<3>,6|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	111.9084	6.964	48	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:4:4:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.3675	3.597	2	110.1465	6.912	4	110.1465	6.912	4	110.1465	6.912	4	110.9197	5.917	6	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	3:3:3:3:	4:3:1:	4:4:4:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	109.9255	2.757	2	110.1465	6.912	4	110.1465	6.912	4	110.1465	6.912	4	110.9197	5.917	6	111.7494	7.063	60
474	818	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:3:1:	4:3:1:	4:4:4:	C[5]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<4>,3|C<3>,6|H<1>}	112.4660	1.294	2	112.4660	1.674	2	112.4660	1.674	2	112.4660	1.674	2	110.9197	5.917	6	111.7494	7.063	60
474	818	856	6:SP3_SP2_SP2	C[5,6]	C[5,5,6]	N[6]	3:3:3:4:	4:4:2:	4:4:3:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[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])	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	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]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	105.2090	0.000	1	105.2090	0.000	1	105.2090	0.000	1	105.2090	0.000	1	105.2090	0.000	1	105.6142	15.329	6
474	818	856	6:SP3_SP2_SP2	C[5,6]	C[5,6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O)	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O){1|O<1>,8|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,9|C<3>}	106.0845	0.416	2	106.0845	0.173	2	106.0845	0.173	2	106.0845	0.173	2	105.6952	19.112	5	105.6142	15.329	6
474	818	856	6:SP3_SP2_SP2	C[5,6]	C[5,6]	N[6]	3:4:3:1:	3:4:3:	4:4:3:	C[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[6]-4:C-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|O<2>,3|C<3>,3|H<1>}	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	105.6952	19.112	5	105.6142	15.329	6
474	818	856	6:SP3_SP2_SP2	C[5,6]	C[5,6]	N[6]	4:3:3:4:	4:4:1:	4:4:2:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C-4:N[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	C[5,6](C[5,6]C[5]N[6]C)2(O)	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[5]N[6]C)2(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	101.8875	0.482	2	101.8875	0.232	2	101.8875	0.232	2	101.8875	0.232	2	105.6952	19.112	5	105.6142	15.329	6
474	818	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	3:3:4:4:	4:3:4:	3:4:1:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5,6]-4:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	112.1455	4.535	4	112.1455	4.535	4
474	818	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	113.0043	2.377	3	112.1455	4.535	4	112.1455	4.535	4
474	818	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<4>,6|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.8825	0.357	2	113.8825	0.128	2	113.8825	0.128	2	113.0043	2.377	3	112.1455	4.535	4	112.1455	4.535	4
474	818	863	0:SP3_SP2_SP2	C[5]	C[5,6]	O	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[5]-4:H-1:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H)	O(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O){1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,7|H<1>}	O(C[5]C[5,6]C[5]H)	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1
474	818	872	0:SP3_SP2_SP3	C[5]	C[5]	Si[3]	4:3:3:4:	4:3:4:	4:4:4:4:	Si[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[3]-4:C[3]-4:C[5]-4:Si-4:	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3)	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3){2|C<3>,2|C<4>}	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1
474	818	874	0:SP3_SP2_SP3	C[5,6]	C[5]	B[6]	3:4:4:3:	4:3:1:	4:3:3:3:	C[5,6a]-3:B[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H)	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H)	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li)	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H){1|Li<3>,1|C<4>,2|H<1>,9|C<3>}	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H){1|H<1>,1|O<3>,6|C<3>}	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li){10|C<3>,1|F<2>,2|H<1>,3|F<1>}	113.2320	0.516	2	113.2320	0.266	2	113.2320	0.266	2	113.2320	0.266	2	113.2320	0.266	2	113.2320	0.266	2
474	818	878	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[4]	4:3:3:4:	4:3:1:	4:2:2:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	89.4702	0.096	2	89.4702	0.009	2	89.4702	0.009	2	89.5931	0.062	4	98.7730	56.516	22	98.7730	56.516	22
474	818	878	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[4]	4:3:3:4:	4:3:1:	4:2:2:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:I[4]-2:I[4]-2:I-1:	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	89.7159	0.343	2	89.7159	0.118	2	89.7159	0.118	2	89.5931	0.062	4	98.7730	56.516	22	98.7730	56.516	22
474	818	878	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[4]	4:3:3:4:	4:3:4:	3:4:2:2:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:Cl[4]-2:Cl[4]-2:	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2{2|F<1>,3|C<4>,5|C<3>}	91.2666	0.620	4	91.2666	0.384	4	91.2666	0.384	4	91.2666	0.384	4	98.7730	56.516	22	98.7730	56.516	22
474	818	878	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[4]	4:3:3:4:	4:3:4:	4:2:2:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	99.4762	0.541	2	99.4762	0.293	2	99.4762	0.293	2	100.5938	1.769	4	98.7730	56.516	22	98.7730	56.516	22
474	818	878	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[4]	4:3:3:4:	4:3:4:	4:2:2:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:I[4]-2:I[4]-2:I-1:	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	101.7115	0.135	2	101.7115	0.018	2	101.7115	0.018	2	100.5938	1.769	4	98.7730	56.516	22	98.7730	56.516	22
474	818	878	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[4]	4:3:3:4:	4:3:4:	4:3:3:3:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[4]-3:N[4]-3:N-3:	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2)	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2){1|N<3>,2|C<3>,3|C<4>}	103.2335	0.418	2	103.2335	0.175	2	103.2335	0.175	2	103.2335	0.175	2	98.7730	56.516	22	98.7730	56.516	22
474	818	878	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[4]	4:3:3:4:	4:3:4:	4:4:2:2:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:Cl[4]-2:Cl[4]-2:	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2{4|C<3>,6|C<4>}	105.0905	5.919	8	105.0905	35.031	8	105.0905	35.031	8	105.0905	35.031	8	98.7730	56.516	22	98.7730	56.516	22
474	818	880	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	Si	4:4:3:4:	4:3:3:	4:4:4:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[5,5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6,6]-4:C-4:C-4:C-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2)	Si(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(CH3)3	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	Si(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(CH3)3	122.6730	0.000	1	122.6730	0.000	1	122.6730	0.000	1	122.6730	0.000	1	122.6730	0.000	1	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	Si	3:3:4:4:	4:3:3:	4:4:4:4:	B[5,5]-3:C[5,6]-3:C[5,6]-4:Si-4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2)	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3){1|Si<4>,1|B<3>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,2|H<1>,3|C<3>}	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	121.6220	0.000	1	121.6220	0.000	1	121.6220	0.000	1	121.6220	0.000	1	120.7726	1.079	7	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	Si	3:4:3:4:	4:3:3:	4:4:4:4:	B[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,5,6]-4:C[5,6]-3:B-3:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2)	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	122.6650	0.000	1	122.6650	0.000	1	122.6650	0.000	1	122.6650	0.000	1	120.7726	1.079	7	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	Si	3:4:3:4:	4:4:3:	4:4:4:4:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH)	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH){1|N<3>,2|C<4>,2|H<1>}	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	120.5230	0.000	3	120.2242	0.167	5	120.2242	0.167	5	120.2242	0.167	5	120.7726	1.079	7	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	Si	3:4:3:4:	4:4:3:	4:4:4:4:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH)	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH){1|C<4>,1|N<3>,3|H<1>}	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	119.7760	0.000	2	120.2242	0.167	5	120.2242	0.167	5	120.2242	0.167	5	120.7726	1.079	7	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,5]	C[5]	Si	3:3:3:4:	4:3:3:	4:4:4:4:	C[5,6a]-3:B[5,5]-3:C[5]-3:Si-4:	C[5,5]-4:C[5]-3:B-3:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3)	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2)	Si(C[5,5]C[5,6a]B[5,5]C[5])(CH3)3	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	Si(C[5,5]C[5,6a]B[5,5]C[5])(CH3)3	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	109.0460	0.416	2	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,5]	C[5]	Si	4:4:3:4:	4:2:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	C[5,5]-4:N[5]-2:Si-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	C[5](C[5,5]Si[5,5]C[5]Si)(N[5]N[5])(SiC3)	Si(C[5,5]Si[5,5]C[5]2)(CH3)3	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	C[5](C[5,5]Si[5,5]C[5]Si)(N[5]N[5])(SiC3){1|Si<4>,2|C<4>,3|H<1>}	Si(C[5,5]Si[5,5]C[5]2)(CH3)3	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.0460	0.416	2	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	Si	3:3:3:4:	3:3:4:	4:3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Si-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	Si(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(CCHH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	Si(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(CCHH)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5,6]	C[5]	Si	3:4:3:4:	4:4:3:	4:4:4:4:	N[5,6]-3:C[6]-4:C[5]-3:Si-4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3)	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH)	Si(C[5,6]N[5,6]C[5]C[6])(CH3)3	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3){1|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH){1|N<3>,2|C<4>,3|H<1>}	Si(C[5,6]N[5,6]C[5]C[6])(CH3)3	115.2240	0.904	6	115.2240	0.817	6	115.2240	0.817	6	115.2240	0.817	6	115.2240	0.817	6	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5,5]	Si	3:3:4:1:	4:3:4:	4:4:4:4:	C[5,6a]-3:C[5,5]-3:Si-4:H-1:	C[5]-4:C[5,5]-3:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H)	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	Si(C[5]C[5,6a]C[5,5]H)(CCCH)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H){3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	Si(C[5]C[5,6a]C[5,5]H)(CCCH)3	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5,6]	Si	3:3:4:1:	3:4:4:	4:4:4:4:	C[5,6]-3:C[5]-3:Si-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	Si(C[5]C[5,6]C[5]H)(CH3)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	Si(C[5]C[5,6]C[5]H)(CH3)3	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:3:4:	4:3:3:	4:4:4:4:	B[5]-3:C[5]-3:C[6a]-3:Si-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3)	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si(C[5]C[6a]B[5]C[5])(CCHH)3	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3){3|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	Si(C[5]C[6a]B[5]C[5])(CCHH)3	112.5120	2.096	5	112.5120	4.392	5	112.5120	4.392	5	112.5120	4.392	5	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	3:4:3:	4:4:4:4:	Si[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	Si(C[5]Si[5]C[5]H)(CH3)3	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	Si(C[5]Si[5]C[5]H)(CH3)3	117.4125	2.116	2	117.4125	4.479	2	117.4125	4.479	2	117.4125	4.479	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:2:4:	4:4:4:4:	P[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:N[5]-2:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H)	C[5](C[5]P[5]SiH)(N[5]N[5])(SiC3)	Si(C[5]C[5]P[5]H)(CH3)3	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H){1|H<1>,4|B<6>}	C[5](C[5]P[5]SiH)(N[5]N[5])(SiC3){1|C<5>,1|H<1>}	Si(C[5]C[5]P[5]H)(CH3)3	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:1:	4:4:4:4:	C[5,6]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H)	Si(C[5]C[5,6]C[5]H)(CH3)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H){2|C<4>}	Si(C[5]C[5,6]C[5]H)(CH3)3	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	111.2260	33.620	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:1:	4:4:4:4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5]C[5]Fe)(C[5]C[5]H)(SiC[5]CC)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)	Si(C[5]C[5]2Fe)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5]Fe)(C[5]C[5]H)(SiC[5]CC)(H){2|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H){1|Fe<8>,1|H<1>}	Si(C[5]C[5]2Fe)(C[5]C[5]2H)(CH3)2	115.3260	0.000	1	115.3260	0.000	1	115.3260	0.000	1	111.2260	33.620	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:3:	4:4:4:4:	B[5,5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C-4:C-4:C-4:	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H)	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2)	Si(C[5]B[5,5]C[5]H)(CH3)3	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|B<3>,5|C<3>}	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	Si(C[5]B[5,5]C[5]H)(CH3)3	124.4840	0.000	1	124.4840	0.000	1	124.4840	0.000	1	114.1062	26.602	6	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:3:	4:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2)	Si(C[5]C[5,6a]C[5]H)(CCHH)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2){2|C<3>}	Si(C[5]C[5,6a]C[5]H)(CCHH)3	112.2940	0.891	4	112.2940	0.795	4	112.2940	0.795	4	114.1062	26.602	6	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:3:	4:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	Si(C[5]C[5,6a]C[5]H)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]C[5]H)(CH3)3	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	114.1062	26.602	6	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:4:	4:3:4:4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-3:C-4:C-4:	C[5](C[5]C[5]C)2(SiCCN)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	C[5](C[5]C[5]C)2(SiCCN)(H){2|C<4>}	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	111.8615	2.058	2	111.8615	4.237	2	111.8615	4.237	2	111.8615	4.237	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:4:	4:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH)	Si(C[5]C[5,6a]C[5]H)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH){2|C<3>}	Si(C[5]C[5,6a]C[5]H)(CH3)3	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	110.3849	8.801	12	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:4:	4:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	Si(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]2H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	Si(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]2H)(CH3)2	106.8150	0.000	1	106.8150	0.000	1	106.6003	0.057	3	110.3849	8.801	12	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:4:	4:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	Si(C[5]C[5,6a]C[5]H)2(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	Si(C[5]C[5,6a]C[5]H)2(CH3)2	106.4930	0.211	2	106.4930	0.044	2	106.6003	0.057	3	110.3849	8.801	12	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:1:	4:3:4:	4:4:4:4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:Si-4:C-4:C-4:	C[5](C[5]C[5]C)2(SiSiCC)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2H)(SiC[5]CC)(CH3)2	C[5](C[5]C[5]C)2(SiSiCC)(H){2|C<4>}	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2H)(SiC[5]CC)(CH3)2	112.2890	1.176	8	112.2890	1.383	8	112.2890	1.383	8	110.3849	8.801	12	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:3:	4:3:1:	4:4:4:4:	C[5]-3:C[5]-3:Si-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H)	Si(C[5]C[5]2C)(CH3)3	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	Si(C[5]C[5]2C)(CH3)3	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:3:	4:4:1:	4:4:4:4:	C[5]-3:C[5]-3:Si-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O)	Si(C[5]C[5]2C)(CH3)3	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O){2|H<1>}	Si(C[5]C[5]2C)(CH3)3	114.0410	0.000	1	114.0410	0.000	1	114.0410	0.000	1	114.0410	0.000	1	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:4:	4:3:1:	4:4:4:4:	B[5]-3:C[5]-3:Si-4:Si-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]N[5]O)(C[5]C[5]H)(SiC3)2	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](B[5]N[5]O)(C[5]C[5]H)(SiC3)2{1|B<3>,1|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H){1|C<3>,1|O<2>}	Si(C[5]B[5]C[5]Si)(CH3)3	110.2145	0.827	2	110.2145	0.683	2	110.2145	0.683	2	110.2145	0.683	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:4:	4:3:3:	4:4:4:4:	B[5]-3:C[5]-3:Si-4:Si-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B)	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2{1|B<3>,1|C<2>,4|C<3>}	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B){1|C<2>,2|F<1>,3|C<3>}	Si(C[5]B[5]C[5]Si)(CH3)3	112.9235	5.202	2	112.9235	27.063	2	112.9235	27.063	2	112.9235	27.063	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:4:	4:3:4:	4:3:4:4:	C[5]-3:C[5]-3:Ga-4:Si-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-3:C-4:C-4:	C[5](C[5]C[5]C)2(GaCl3)(SiCCN)	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2Ga)(NGaC)(CH3)2	C[5](C[5]C[5]C)2(GaCl3)(SiCCN){2|C<4>}	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2Ga)(NGaC)(CH3)2	112.3295	1.501	4	112.3295	2.252	4	112.3295	2.252	4	113.7430	3.271	8	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:3:4:4:	4:3:4:	4:3:4:4:	C[5]-3:C[5]-3:In-4:Si-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-3:C-4:C-4:	C[5](C[5]C[5]C)2(InBr3)(SiCCN)	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2In)(NInC)(CH3)2	C[5](C[5]C[5]C)2(InBr3)(SiCCN){2|C<4>}	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2In)(NInC)(CH3)2	115.1565	0.228	4	115.1565	0.052	4	115.1565	0.052	4	113.7430	3.271	8	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	3:4:4:1:	3:4:3:	4:4:4:4:	C[5]-3:C[5]-4:Si-4:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2)	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,3|C<3>,3|H<1>}	Si(C[5]C[5]2H)(CH3)3	118.8335	3.128	2	118.8335	9.781	2	118.8335	9.781	2	118.8335	9.781	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	4:3:3:4:	4:3:4:	4:4:1:1:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	Si(C[5]C[5]N[5]H)(C[5]C[5]2C)(Cl)2	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]N[5]H)(C[5]C[5]2C)(Cl)2	109.2295	3.671	2	109.2295	13.473	2	109.2295	13.473	2	109.2295	13.473	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	4:3:3:4:	4:3:4:	4:4:3:4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:In-3:C-4:	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2C)2(InSiC)(CH3)	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2C)2(InSiC)(CH3)	110.1800	5.010	8	110.1800	25.096	8	110.1800	25.096	8	110.1800	25.096	8	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	4:3:4:1:	4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-3:Si-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(O)	Si(C[5]C[5,6]C[5]H)(CH3)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	Si(C[5]C[5,6]C[5]H)(CH3)3	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	4:3:4:1:	4:3:1:	4:4:4:4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]Si)(O)	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]SiH)(C[5]C[5]Si)(O){1|O<2>,2|C<4>}	Si(C[5]C[5]2H)(CH3)3	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	4:3:4:1:	4:4:3:	4:4:4:4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:Si[5]-4:C-3:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH)	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH){2|Si<4>,2|H<1>}	Si(C[5]C[5]2H)(CH3)3	115.3115	0.552	2	115.3115	0.305	2	115.3115	0.305	2	115.3115	0.305	2	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	4:3:4:2:	4:3:1:	4:4:4:4:	C[5]-4:C[5]-3:Si-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H)	Si(C[5]C[5]2O)(CCHH)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	Si(C[5]C[5]2O)(CCHH)3	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	112.2858	14.043	62	113.2543	18.881	81
474	818	880	0:SP3_SP2_SP3	C[5]	C[5]	Si	4:4:3:1:	4:3:3:	3:3:4:4:	C[5]-4:Si-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(CCC)	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]H)(CCC){3|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CH3)	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	112.2858	14.043	62	113.2543	18.881	81
474	818	881	0:SP3_SP2_SPD5	C[5]	C[5]	Si[3,3]	5:3:3:4:	4:3:4:	5:2:2:4:3:	Si[3,3]-5:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	Si[3,3]-5:O[3]-2:O[3]-2:C[5]-4:N-3:	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2)	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3){1|N<3>,3|C<4>}	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2){3|C<4>,4|C<3>}	110.9543	3.032	4	110.9543	9.193	4	110.9543	9.193	4	110.9543	9.193	4	110.9543	9.193	4	110.9543	9.193	4
474	818	882	6:SP3_SP2_SP3	C[3x5,6]	C[5,6]	P[4,5,5,6,6]	3:4:3:4:	4:3:4:	4:4:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6,6]-4:P[4,5,3x6]-4:C[3x5,6]-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Cl)(C[3x5,6]C[3x5,6,6]C[5,6]C)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Cl)(C[3x5,6]C[3x5,6,6]C[5,6]C){3|C<3>,5|C<4>}	108.1990	0.000	1	108.1990	0.000	1	108.2930	0.315	3	108.2930	0.315	3	108.2930	0.315	3	108.2930	0.315	3
474	818	882	6:SP3_SP2_SP3	C[3x5,6]	C[5,6]	P[4,5,5,6,6]	3:4:3:4:	4:3:4:	4:4:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6,6]-4:P[4,5,3x6]-4:C[3x5,6]-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Ga)(C[3x5,6]C[3x5,6,6]C[5,6]C)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Ga)(C[3x5,6]C[3x5,6,6]C[5,6]C){3|C<3>,5|C<4>}	107.7850	0.000	1	107.7850	0.000	1	108.2930	0.315	3	108.2930	0.315	3	108.2930	0.315	3	108.2930	0.315	3
474	818	882	6:SP3_SP2_SP3	C[3x5,6]	C[5,6]	P[4,5,5,6,6]	3:4:3:4:	4:3:4:	4:4:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6,6]-4:P[4,5,3x6]-4:C[3x5,6]-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]I)(C[3x5,6]C[3x5,6,6]C[5,6]C)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]I)(C[3x5,6]C[3x5,6,6]C[5,6]C){3|C<3>,5|C<4>}	108.8950	0.000	1	108.8950	0.000	1	108.2930	0.315	3	108.2930	0.315	3	108.2930	0.315	3	108.2930	0.315	3
474	818	885	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[5]	4:3:3:1:	4:3:1:	3:4:4:4:	Ga[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-4:	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H)	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H)	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H){3|Si<4>,3|H<1>,4|C<3>}	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2{2|C<4>,5|H<1>,6|C<3>}	111.0140	7.313	4	111.0140	53.483	4	111.0140	53.483	4	111.0140	53.483	4	111.0140	53.483	4	111.0140	53.483	4
474	818	887	0:SP3_SP2_SP3	C[5,5]	C[5]	S	4:3:4:3:	4:3:2:	4:4:1:	C[5,5]-4:C[5]-3:S[5]-4:S-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C-4:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO)	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO){1|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	113.2935	1.380	2	113.2935	1.903	2	113.2935	1.903	2	113.2935	1.903	2	112.1198	2.523	4	112.0902	1.896	5
474	818	887	0:SP3_SP2_SP3	C[5,5]	C[5]	S	4:4:3:3:	4:2:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O)	C[5](C[5,5]C[5,5]C[5]S)(O[5]C[5])(O)	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S)(O[5]C[5])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	110.6680	0.000	1	110.6680	0.000	1	110.9460	0.155	2	110.9460	0.155	2	112.1198	2.523	4	112.0902	1.896	5
474	818	887	0:SP3_SP2_SP3	C[5,5]	C[5]	S	4:4:3:3:	4:2:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O)	C[5](C[5,5]C[5,5]C[5]S)(O[5]C[5])(O)	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S)(O[5]C[5])(O){1|O<2>,2|C<3>,4|H<1>}	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	111.2240	0.000	1	111.2240	0.000	1	110.9460	0.155	2	110.9460	0.155	2	112.1198	2.523	4	112.0902	1.896	5
474	818	887	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:3:4:	4:2:1:	3:4:1:	C[5]-4:C[5]-3:S-3:C-4:	C[5]-4:O[5]-2:O-1:	C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3)	C[5](C[5]C[5]CS)(O[5]C[5])(O)	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]CS)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	112.0902	1.896	5
474	818	888	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	Se[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|O<1>,2|H<1>,6|C<3>}	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O){2|H<1>,6|C<3>}	106.6380	0.000	1	106.6380	0.000	1	106.6380	0.000	1	106.5455	0.017	2	106.5455	0.017	2	106.5455	0.017	2
474	818	888	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	Se[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])(O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,7|C<3>}	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])(O){1|H<1>,7|C<3>}	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	106.5455	0.017	2	106.5455	0.017	2	106.5455	0.017	2
474	818	891	0:SP3_SP2_SP2	C[3x5]	C[5]	S[5]	4:4:2:3:	4:3:1:	4:3:	C[3x5]-4:C[5,5]-4:S[5]-2:C[5]-3:	C[3x5]-4:N[5]-3:O-1:	C[3x5]-4:C[5,6a]-3:	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O)	C[5](C[3x5]C[3x5]C[5,5]S[5])(N[5]C[5,5]C[6a])(O)	S[5](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[3x5]C[3x5]C[5,5]S[5])(N[5]C[5,5]C[6a])(O){1|S<2>,3|N<3>,6|C<3>}	S[5](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|N<3>}	111.4530	0.030	2	111.4530	0.001	2	111.4530	0.001	2	111.4530	0.001	2	111.4530	0.001	2	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	3:2:2:3:	4:3:1:	4:3:	C[5,6a]-3:S[5]-2:S[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O)	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O)	S[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O){4|C<3>}	S[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	3:2:4:3:	4:3:3:	3:4:	N[5]-3:S[5]-2:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C){1|N<2>,3|C<3>}	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC){1|N<2>,2|C<4>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	3:3:2:2:	3:4:1:	3:4:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	S[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]2S[5])	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2{2|C<3>,2|S<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	S[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]2S[5]){1|S<2>,2|O<1>,3|C<3>}	111.1785	1.513	4	111.1785	2.290	4	111.1785	2.290	4	111.1103	2.462	12	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	3:3:2:2:	3:4:1:	3:4:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	S[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]2S[5])	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2{2|C<3>,2|S<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]2S[5]){1|S<2>,2|O<1>,3|C<3>}	111.2870	1.723	4	111.2870	2.969	4	111.2870	2.969	4	111.1103	2.462	12	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	3:3:2:2:	3:4:1:	3:4:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5]){1|H<1>,2|O<1>,4|C<3>}	110.8655	1.908	4	110.8655	3.641	4	110.8655	3.641	4	111.1103	2.462	12	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	3:3:2:3:	4:3:1:	4:3:	C[5,6a]-3:N[5]-3:S[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.7955	0.104	2	106.7955	0.011	2	106.7955	0.011	2	106.7955	0.011	2	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	3:4:2:2:	3:4:3:	4:3:	C[5]-3:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2)	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H)	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2{2|H<1>,4|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2){1|S<2>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H){3|C<3>,3|H<1>}	112.7950	7.748	2	112.7950	60.039	2	112.7950	60.039	2	112.7950	60.039	2	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:2:3:1:	4:3:3:	3:4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]2)(CCH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	112.5230	0.000	1	112.5230	0.000	1	111.1692	1.517	5	111.1692	1.517	5	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:2:3:1:	4:3:3:	3:4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<1>,1|O<2>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	110.9157	1.358	3	110.9157	1.845	3	111.1692	1.517	5	111.1692	1.517	5	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:2:3:1:	4:3:3:	3:4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(CCH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(CCH){1|O<1>,1|O<2>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	110.5760	0.000	1	110.5760	0.000	1	111.1692	1.517	5	111.1692	1.517	5	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:2:2:	3:4:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	S[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5]){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,3|C<3>,3|H<1>}	S[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:3:2:	4:3:3:	3:4:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	114.8650	1.450	2	114.8650	2.101	2	114.8650	2.101	2	114.8650	2.101	2	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5])	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC)	S[5](C[5,5]C[5]2N[5])(C[5]C[5]H)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC){1|N<2>,2|C<4>,5|C<3>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]H){1|N<3>,3|C<3>,3|C<4>}	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:3:2:	4:4:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)(O)	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	111.4359	6.582	28	111.4370	6.128	30
474	818	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	3:3:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5])	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	108.7870	3.909	2	111.6972	5.641	9	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	3:3:3:2:	4:3:1:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH){1|N<3>,2|O<1>,3|C<3>}	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	108.7870	3.909	2	111.6972	5.641	9	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:2:3:1:	4:3:1:	6:4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,5]-4:	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]S[5])(H)	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H){1|Fe<10>,3|C<4>,6|B<6>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]S[5])(H){1|Fe<10>,2|C<6>,3|C<4>}	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]H){1|C<3>,1|C<4>,1|S<2>,5|B<6>,5|H<1>}	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	111.6972	5.641	9	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:P[5]-3:	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]H)(H)	S[5](C[5,5]C[5,5]C[5]H)(P[5]C[6a]P[5])	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]H)(H){1|P<3>,1|P<4>,3|H<1>}	S[5](C[5,5]C[5,5]C[5]H)(P[5]C[6a]P[5]){1|C<4>,1|S<1>,2|H<1>,4|C<3>}	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	111.6972	5.641	9	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(O)	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<4>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	113.3780	0.000	1	113.3780	0.000	1	112.6955	2.552	4	112.6955	2.552	4	111.6972	5.641	9	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(O)	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	112.4680	1.876	3	112.4680	3.518	3	112.6955	2.552	4	112.6955	2.552	4	111.6972	5.641	9	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:3:2:	4:2:3:	4:4:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5])	C[5](C[5,5]C[5]N[5]S[5])(O[5]C[5])(CC[6a]C)	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)	C[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5]N[5]S[5])(O[5]C[5])(CC[6a]C){1|O<1>,2|C<3>,3|C<4>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC){1|O<2>,2|C<4>,4|C<3>}	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	111.6972	5.641	9	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	S[5]	3:4:2:2:	4:4:2:	4:4:	C[5,6,6]-3:C[3x6]-4:S[5]-2:S[5]-2:	C[5,5,3x6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a])	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a]){1|N<3>,2|H<1>,3|C<3>,5|C<4>}	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH){1|N<2>,3|C<4>,3|H<1>}	111.1805	2.784	2	111.1805	7.750	2	111.1805	7.750	2	111.1805	7.750	2	111.1805	7.750	2	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	3:4:2:2:	3:4:2:	4:4:	C[5,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a])	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2{3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	110.4030	3.393	2	110.4030	11.510	2	110.4030	11.510	2	110.4030	11.510	2	110.4030	11.510	2	111.1795	6.474	15
474	818	891	0:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:2:4:	3:4:3:	4:4:	C[5]-3:S[5]-2:S[5]-2:C-4:	C[5,6,6]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O)	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O){5|C<4>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.6250	4.219	2	109.6250	17.797	2	109.6250	17.797	2	109.6250	17.797	2	109.6250	17.797	2	111.1795	6.474	15
474	818	891	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	S[5]	3:3:3:2:	4:2:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:N[6,6]-2:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H){1|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<2>,6|C<3>}	106.8205	0.168	2	106.8205	0.028	2	106.8205	0.028	2	106.8205	0.028	2	106.2312	0.765	17	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,7|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	106.7335	0.494	8	106.7335	0.244	8	106.7396	0.214	9	106.1526	0.816	15	106.2312	0.765	17	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C){6|C<3>}	106.7880	0.000	1	106.7880	0.000	1	106.7396	0.214	9	106.1526	0.816	15	106.2312	0.765	17	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H){1|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	106.2350	0.000	1	106.2350	0.000	1	105.2722	0.393	6	106.1526	0.816	15	106.2312	0.765	17	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H){1|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	105.6660	0.000	1	105.6660	0.000	1	105.2722	0.393	6	106.1526	0.816	15	106.2312	0.765	17	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	104.6565	0.175	2	104.9330	0.141	4	105.2722	0.393	6	106.1526	0.816	15	106.2312	0.765	17	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	105.2095	0.293	2	104.9330	0.141	4	105.2722	0.393	6	106.1526	0.816	15	106.2312	0.765	17	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5,5]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[5,5]-3:P[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(P[5]N[5]CW)(S[5]C[5])(H)	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H)	S[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(P[5]N[5]CW)(S[5]C[5])(H){1|C<4>,3|H<1>}	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|W<6>,2|C<4>}	S[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|W<6>}	105.3040	0.000	1	105.3040	0.000	1	105.3040	0.000	1	105.3040	0.000	1	105.6055	0.182	2	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5,5]	S[5]	4:3:2:1:	3:4:3:	4:3:	C[5,6]-4:C[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H)	S[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	S[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	105.6055	0.182	2	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:2:2:	3:4:1:	3:4:	C[5]-4:C[5]-3:S[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5]){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,2|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	107.3447	0.828	3	107.3447	0.685	3	107.3447	0.685	3	107.3447	0.685	3	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:2:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5])	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O)	S[5](C[5,5]C[5]2O[5])(C[5]N[5]O)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	S[5](C[5,5]C[5]2O[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	105.6240	0.000	1	105.6240	0.000	1	105.6240	0.000	1	105.6240	0.000	1	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:2:4:	3:4:1:	3:4:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	N[5,5a]-3:C[5,5]-4:O-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	S[5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	S[5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:2:4:	4:3:1:	3:4:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	107.0718	0.402	5	107.0718	0.162	5	107.0718	0.162	5	107.0718	0.162	5	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O)	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:3:2:	4:3:1:	3:4:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	106.5510	0.205	2	106.5510	0.042	2	106.5510	0.042	2	106.5510	0.042	2	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:3:4:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:C[5]-4:S[5]-2:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	106.5390	0.000	1	106.5390	0.000	1	106.5390	0.000	1	106.5390	0.000	1	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	3:4:1:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	N[5,5a]-3:C[5,5]-4:O-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	106.0553	0.821	3	106.0553	0.674	3	106.0553	0.674	3	106.0553	0.674	3	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O)	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	104.3820	0.000	1	104.3943	0.592	3	104.3943	0.592	3	104.3943	0.592	3	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O)	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	104.4005	1.088	2	104.3943	0.592	3	104.3943	0.592	3	104.3943	0.592	3	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5])(O){1|C<3>,1|N<3>,1|S<1>,2|C<4>,2|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5,5a]-3:O-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	106.6140	0.209	2	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	3:4:	C[5,6]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.6140	0.209	2	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5,5]-3:O-1:	C[5,5]-4:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	104.5640	0.140	2	104.5640	0.020	2	104.7050	0.033	4	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5,5]-3:O-1:	C[5,5]-4:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	104.8460	0.000	2	104.8460	0.000	2	104.7050	0.033	4	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]2)(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]2)(O){1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	104.6200	0.000	1	104.6200	0.000	1	104.9118	0.141	13	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	104.7125	0.073	6	104.7091	0.005	7	104.9118	0.141	13	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	104.6890	0.000	1	104.7091	0.005	7	104.9118	0.141	13	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]N[6])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]N[6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	105.2540	0.421	5	105.2540	0.177	5	104.9118	0.141	13	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	105.1570	0.000	1	105.2970	0.039	2	104.6362	0.451	6	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	105.4370	0.000	1	105.2970	0.039	2	104.6362	0.451	6	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	105.0800	0.000	1	105.0800	0.000	1	104.6362	0.451	6	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	104.0610	0.322	2	104.0610	0.104	2	104.6362	0.451	6	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O){1|C<3>,1|N<3>,1|S<1>,2|C<4>,2|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	104.0210	0.000	1	104.0210	0.000	1	104.6362	0.451	6	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O)	S[5](C[5,5]C[5]3)(C[5]N[5]S)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	S[5](C[5,5]C[5]3)(C[5]N[5]S){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	102.1560	0.000	1	102.1560	0.000	1	103.6615	4.533	2	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O)	S[5](C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	S[5](C[5,5]C[5]3)(C[5]N[5]O){1|C<3>,1|N<4>,1|O<1>,2|C<4>,3|H<1>}	105.1670	0.000	1	105.1670	0.000	1	103.6615	4.533	2	104.7126	0.473	25	105.4488	1.478	48	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	3:4:2:4:	3:4:3:	3:4:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	105.5185	0.269	2	105.5185	0.073	2	105.7350	0.336	6	105.7350	0.336	6	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	3:4:2:4:	3:4:3:	3:4:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	105.8432	0.699	4	105.8432	0.489	4	105.7350	0.336	6	105.7350	0.336	6	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	3:4:2:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){2|N<2>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,2|S<2>,3|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5]){1|C<4>,1|S<2>,4|C<3>}	101.4480	0.000	1	101.4480	0.000	1	101.8045	0.254	2	101.8045	0.254	2	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	3:4:2:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){1|N<2>,1|S<2>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5]){1|C<4>,1|S<2>,4|C<3>}	102.1610	0.000	1	102.1610	0.000	1	101.8045	0.254	2	101.8045	0.254	2	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	104.5130	0.042	2	104.5130	0.002	2	104.2201	1.239	14	104.2201	1.239	14	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|S<2>,2|C<4>,4|C<3>}	106.4505	0.129	2	106.4505	0.017	2	104.2201	1.239	14	104.2201	1.239	14	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	S[5](C[5,6]C[5,6]2C)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	S[5](C[5,6]C[5,6]2C)(C[5]C[5]C){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	104.5630	0.052	2	104.5630	0.003	2	104.2201	1.239	14	104.2201	1.239	14	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Fe)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Fe<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Fe<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Fe){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	103.2255	0.590	2	103.2255	0.349	2	104.2201	1.239	14	104.2201	1.239	14	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Ru)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Ru<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Ru){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	103.3135	0.800	2	103.3135	0.640	2	104.2201	1.239	14	104.2201	1.239	14	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	103.7375	0.249	4	103.7375	0.062	4	104.2201	1.239	14	104.2201	1.239	14	104.4136	2.031	22	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5]	S[5]	4:3:2:4:	3:4:1:	3:4:	C[6]-4:C[5]-3:S[5]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH){4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O){2|C<4>,3|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	104.8082	0.992	5	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	105.0020	0.000	1	105.0020	0.000	1	104.3960	0.190	4	104.3960	0.190	4	104.8082	0.992	5	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|S<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]S){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	104.4260	0.000	1	104.4260	0.000	1	104.3960	0.190	4	104.3960	0.190	4	104.8082	0.992	5	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5,6]	C[5]	S[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5])	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O)	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5]){1|H<1>,1|O<1>,3|C<2>,5|C<3>}	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[5](C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	104.0780	0.030	2	104.0780	0.001	2	104.3960	0.190	4	104.3960	0.190	4	104.8082	0.992	5	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	3:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]2)(C[5]S[5]HH)(O)	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]2)(C[5]S[5]HH)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>}	107.5540	0.000	1	107.5540	0.000	1	107.7210	0.056	2	107.7210	0.056	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	3:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]N[6])(C[5]S[5]HH)(O)	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2{1|N<2>,1|N<3>}	C[5](N[5,6]C[5,6]N[6])(C[5]S[5]HH)(O){1|C<4>,1|H<1>,1|N<2>}	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>}	107.8880	0.000	1	107.8880	0.000	1	107.7210	0.056	2	107.7210	0.056	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|H<1>,1|S<1>,2|C<4>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,1|O<1>}	107.0180	0.000	1	107.0180	0.000	1	107.8468	0.508	16	107.8468	0.508	16	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){3|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|O<1>}	108.3697	0.684	4	108.3697	0.468	4	107.8468	0.508	16	107.8468	0.508	16	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|N<2>,2|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,1|O<1>}	108.0476	0.427	8	108.0476	0.182	8	107.8468	0.508	16	107.8468	0.508	16	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|S<1>,2|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,1|O<1>}	106.8903	0.222	3	106.8903	0.050	3	107.8468	0.508	16	107.8468	0.508	16	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:2:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(O)	S[5](C[5]C[5]HH)(C[5]N[5]2)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(O){1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]2){1|C<4>,1|N<2>,1|O<1>}	106.7700	0.112	3	106.7700	0.013	3	106.3586	0.169	7	106.3586	0.169	7	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:2:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(O)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(O){1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|O<1>}	106.0500	0.183	4	106.0500	0.034	4	106.3586	0.169	7	106.3586	0.169	7	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	3:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(O)	S[5](C[5]C[5]N[6])(C[5]C[5]HH)	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<2>,1|N<3>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(O){1|N<3>}	S[5](C[5]C[5]N[6])(C[5]C[5]HH){1|C<2>,1|O<1>,2|C<4>}	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(O)	S[5](C[5]C[5]HH)(C[5]C[5]S)	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<3>,1|S<2>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(O){1|S<2>}	S[5](C[5]C[5]HH)(C[5]C[5]S){1|C<3>,1|O<1>}	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]H)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H){1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]S){2|H<1>}	106.2980	0.000	1	106.2980	0.000	1	106.2980	0.000	1	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<4>,1|O<1>}	108.3164	0.186	5	108.3164	0.035	5	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|O<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>}	106.7603	1.675	3	106.7603	2.807	3	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,1|O<1>}	106.9930	0.000	1	106.9930	0.000	1	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(O)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|Fe<6>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(O){1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|Fe<6>,1|O<1>}	107.1015	0.084	2	107.1015	0.007	2	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|H<1>,1|O<1>}	107.9215	0.179	2	107.9215	0.032	2	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|H<1>,1|O<1>}	107.7234	0.620	5	107.6930	0.313	6	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|H<1>,1|O<1>}	107.5410	0.000	1	107.6930	0.313	6	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|H<1>,1|O<1>}	106.5860	0.000	1	106.5860	0.000	1	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<2>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|N<3>,1|O<1>}	107.7685	0.822	2	107.7685	0.676	2	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|O<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>}	107.8530	0.000	1	107.8530	0.000	1	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<2>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|N<2>,1|O<1>}	107.5833	0.208	3	107.5174	0.030	5	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|N<3>,1|O<1>}	107.4185	0.029	2	107.5174	0.030	5	107.5937	0.561	28	107.5765	0.601	30	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:1:1:	4:3:2:	4:3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH)	S[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH){1|O<1>}	S[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<2>}	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:3:3:	3:4:1:	3:4:	C[5]-3:S[5]-2:C-3:C-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O){1|H<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:1:	3:4:1:	3:4:	C[5]-3:S[5]-2:C-4:H-1:	N[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5]-4:	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O)	S[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H){2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	S[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH){1|N<2>,1|O<1>,2|C<3>}	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:1:	3:4:1:	4:3:	C[5]-3:S[5]-2:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	S[5](C[5]C[5]CH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	S[5](C[5]C[5]CH)(C[5]N[5]N){1|C<3>,1|O<1>}	106.8710	0.000	1	106.8710	0.000	1	106.4190	0.409	2	106.4190	0.409	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:1:	3:4:1:	4:3:	C[5]-3:S[5]-2:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|S<1>,2|C<3>}	S[5](C[5]C[5]CH)(C[5]N[5]S){1|C<3>,1|O<1>}	105.9670	0.000	1	105.9670	0.000	1	106.4190	0.409	2	106.4190	0.409	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	S[5](C[5]C[5]CH)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|N<2>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|N<2>}	S[5](C[5]C[5]CH)(C[5]N[5]N){1|C<4>,1|O<1>}	106.2390	0.000	1	106.2390	0.000	1	106.0845	0.048	2	106.0845	0.048	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|S<1>}	S[5](C[5]C[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>}	105.9300	0.000	1	105.9300	0.000	1	106.0845	0.048	2	106.0845	0.048	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:1:	4:3:2:	4:3:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H)	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH)	S[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH){1|O<1>}	S[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>}	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:2:	4:2:1:	3:4:	C[5]-3:S[5]-2:C-4:O-2:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH)	C[5](C[5]S[5]CO)(N[5]C[5])(O)	S[5](C[5]C[6a]N[5])(C[5]C[5]CO)	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH){1|C<3>}	C[5](C[5]S[5]CO)(N[5]C[5])(O){1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]CO){1|O<1>,2|C<3>}	103.3320	0.000	1	103.3320	0.000	1	103.3320	0.000	1	103.3320	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:4:	4:2:1:	3:4:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5])(O)	S[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>}	C[5](C[5]S[5]CC)(N[5]C[5])(O){1|C<3>}	S[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|N<2>,1|O<1>,1|S<2>}	104.3167	0.218	4	104.3167	0.048	4	104.3167	0.048	4	104.3167	0.048	4	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:2:4:4:	4:2:1:	4:3:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5])(O)	S[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|N<3>}	C[5](C[5]S[5]CC)(N[5]C[5])(O){1|N<3>}	S[5](C[5]C[5]CC)(C[5]N[5]N){1|O<1>}	103.6240	0.000	1	103.6240	0.000	1	103.6240	0.000	1	103.6240	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:3:2:1:	4:2:1:	4:3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5])(O)	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5])(O){1|N<3>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|O<1>,2|C<3>}	104.5950	0.000	1	104.5950	0.000	1	104.5950	0.000	1	104.5950	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:3:2:1:	4:3:1:	3:4:	C[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:N[5,5]-3:O-1:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H)	C[5](C[5]C[6a]S[5]H)(N[5,5]C[5,5]2)(O)	S[5](C[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(N[5,5]C[5,5]2)(O){2|C<4>,4|C<3>}	S[5](C[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H){1|O<1>,2|C<4>,3|C<3>}	106.4950	0.000	1	106.4950	0.000	1	106.4950	0.000	1	106.4950	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:3:2:1:	4:3:1:	4:3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[6a]C[5])(O)	S[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[6a]C[5])(O){5|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|O<1>,3|C<3>}	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:S[5]-2:S-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO)	C[5](C[5]C[6a]S[5]S)(N[5]C[6a]C[5])(O)	S[5](C[5]C[6a]C[5]S)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]S)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	S[5](C[5]C[6a]C[5]S)(C[5]N[5]O){1|O<1>,3|C<3>}	106.6150	0.000	1	106.6150	0.000	1	106.6150	0.000	1	106.6150	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:3:4:2:	4:3:1:	4:3:	C[6a]-3:C[5]-3:C-4:S[5]-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5])	C[5](C[5]C[6a]S[5]C)(N[5]C[6a]C[5])(O)	S[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]C)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	S[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>}	105.0050	0.000	1	105.0050	0.000	1	105.0050	0.000	1	105.0050	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:1:	4:2:1:	4:3:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H)	C[5](C[5]S[5]CH)(N[5]C[5])(O)	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H){1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5])(O){1|S<1>}	S[5](C[5]C[5]CH)(C[5]N[5]S){1|O<1>}	104.6330	0.000	1	104.6330	0.000	1	104.6330	0.000	1	104.6330	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H)	C[5](C[5]S[5]CH)(C[5]C[5]C)(O)	S[5](C[5]C[5]CH)(C[5]C[5]N)	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[5]S[5]CH)(C[5]C[5]C)(O){1|N<3>}	S[5](C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|O<1>}	107.2005	0.982	2	107.2005	0.965	2	107.2005	0.965	2	106.4656	0.395	9	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	S[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	S[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>}	106.4215	0.582	2	106.4215	0.339	2	106.2556	0.134	7	106.4656	0.395	9	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	S[5](C[5]C[5]CH)(C[5]N[5]N)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|N<2>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|N<2>}	S[5](C[5]C[5]CH)(C[5]N[5]N){1|C<4>,1|O<1>}	106.3820	0.000	1	106.3820	0.000	1	106.2556	0.134	7	106.4656	0.395	9	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	S[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|O<1>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	S[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>}	106.5240	0.000	1	106.5240	0.000	1	106.2556	0.134	7	106.4656	0.395	9	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(O)	S[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]S[5]CH)(N[5]C[5]H)(O){1|O<1>}	S[5](C[5]C[5]CH)(C[5]N[5]O){1|H<1>,1|O<1>}	105.8585	0.039	2	105.8585	0.002	2	106.2556	0.134	7	106.4656	0.395	9	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	S[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	S[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>}	106.3230	0.000	1	106.3230	0.000	1	106.2556	0.134	7	106.4656	0.395	9	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	3:4:2:4:	3:4:1:	4:3:	C[5]-3:C-4:S[5]-2:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O)	S[5](C[5]C[5]CC)(C[5]N[5]S)	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O){1|S<1>,2|C<3>}	S[5](C[5]C[5]CC)(C[5]N[5]S){1|C<3>,1|O<1>}	104.7180	0.000	1	104.7180	0.000	1	104.7180	0.000	1	104.7180	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5]C[5]S[5]H)(N[5]C[5])(O)	S[5](C[5]C[5]2H)(C[5]N[5]N)	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]S[5]H)(N[5]C[5])(O){1|N<3>,1|O<2>,2|C<3>}	S[5](C[5]C[5]2H)(C[5]N[5]N){1|O<1>,1|O<2>,2|C<3>}	106.1080	0.000	1	106.1080	0.000	1	106.1080	0.000	1	106.1080	0.000	1	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O)	S[5](C[5]C[5]2H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	S[5](C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	106.8180	0.068	2	106.8180	0.005	2	106.8180	0.005	2	106.8180	0.005	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	4:3:2:4:	4:2:1:	3:4:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O)	S[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O){1|N<3>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|N<3>,1|O<1>,4|C<3>}	104.1030	0.000	1	104.1030	0.000	1	104.1465	0.004	2	104.1465	0.004	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	4:3:2:4:	4:2:1:	3:4:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O)	S[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	104.1900	0.000	1	104.1900	0.000	1	104.1465	0.004	2	104.1465	0.004	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	4:3:2:4:	4:3:1:	4:3:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5](C[5]C[5]S[5]C)(N[5]C[6a]C[5])(O)	S[5](C[5]C[5]2C)(C[5]N[5]S)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,1|S<1>,3|C<3>}	C[5](C[5]C[5]S[5]C)(N[5]C[6a]C[5])(O){1|N<3>,1|S<1>,4|C<3>}	S[5](C[5]C[5]2C)(C[5]N[5]S){1|N<3>,1|O<1>,3|C<3>}	104.7040	0.000	1	104.7040	0.000	1	104.7040	0.000	1	104.6160	0.015	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	4:3:2:4:	4:3:1:	4:3:	C[6]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O)	S[5](C[5]C[5]C[6]C)(C[5]N[5]S)	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	S[5](C[5]C[5]C[6]C)(C[5]N[5]S){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	104.5280	0.000	1	104.5280	0.000	1	104.5280	0.000	1	104.6160	0.015	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP2	C[5]	C[5]	S[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H)	S[5](C[5]C[6a]C[5]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H){1|O<1>,1|S<2>,6|C<3>}	S[5](C[5]C[6a]C[5]2)(C[5]C[5]O){1|H<1>,1|S<2>,5|C<3>}	104.3155	0.183	2	104.3155	0.034	2	104.3155	0.034	2	104.3155	0.034	2	106.7657	1.972	95	106.0453	2.380	189
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	S[5,6]	4:3:2:1:	4:4:1:	4:4:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]S[5,6]H)(O)	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]S[5,6]H)(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	100.7970	0.000	1	100.7970	0.000	1	100.7970	0.000	1	99.7202	2.319	2	99.7202	2.319	2	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	S[5,6]	4:3:2:1:	4:4:1:	4:4:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,5,6]S[5,6]H)(C[5,5,6]N[5,5,6]C[5,6]H)(O)	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]S[5,6]H)(C[5,5,6]N[5,5,6]C[5,6]H)(O){1|C<3>,1|H<1>,3|C<4>}	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	98.6435	0.000	1	98.6435	0.000	1	98.6435	0.000	1	99.7202	2.319	2	99.7202	2.319	2	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:2:2:3:	4:3:1:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	102.8130	0.000	1	102.5490	0.120	3	102.5490	0.120	3	102.5490	0.120	3	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:2:2:3:	4:3:1:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	102.1560	0.000	1	102.5490	0.120	3	102.5490	0.120	3	102.5490	0.120	3	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:2:2:3:	4:3:1:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	102.6780	0.000	1	102.5490	0.120	3	102.5490	0.120	3	102.5490	0.120	3	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:4:2:3:	4:3:1:	4:4:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,3|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	99.1010	0.000	1	99.1010	0.000	1	100.0293	0.703	3	100.0293	0.703	3	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:4:2:3:	4:3:1:	4:4:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	100.4935	0.336	2	100.4935	0.113	2	100.0293	0.703	3	100.0293	0.703	3	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:3:	4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,6]C[5,5,6]C[6a])(O)	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,6]C[5,5,6]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a]){1|O<1>,3|H<1>,4|C<3>}	101.1810	0.000	1	101.1810	0.000	1	101.1810	0.000	1	101.1810	0.000	1	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	101.4290	0.000	1	101.4290	0.000	1	101.5004	0.246	8	101.5004	0.246	8	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	101.7657	0.460	3	101.7657	0.212	3	101.5004	0.246	8	101.5004	0.246	8	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	101.3192	0.562	4	101.3192	0.316	4	101.5004	0.246	8	101.5004	0.246	8	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	101.8240	0.000	1	101.8240	0.000	1	100.3913	0.756	6	100.4543	0.657	7	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,3|H<1>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	100.1316	0.773	3	100.1048	0.329	5	100.3913	0.756	6	100.4543	0.657	7	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|H<1>,3|C<3>,3|C<4>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	100.0645	0.336	2	100.1048	0.329	5	100.3913	0.756	6	100.4543	0.657	7	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,3|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	100.8320	0.000	1	100.8320	0.000	1	100.8320	0.000	1	100.4543	0.657	7	101.0954	1.012	22	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	S[5]	3:4:2:1:	3:4:4:	4:4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	103.8290	0.000	1	103.8290	0.000	1	103.8290	0.000	1	103.8290	0.000	1	103.4220	0.716	3	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	S[5]	3:4:2:1:	4:4:3:	4:4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,2|H<1>,3|C<4>}	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	103.2185	1.184	2	103.4220	0.716	3	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	S[5]	3:4:2:1:	4:4:3:	4:4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	103.9880	0.000	1	103.9880	0.000	1	103.9880	0.000	1	103.2185	1.184	2	103.4220	0.716	3	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	3:4:2:2:	3:4:2:	4:3:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5]){2|O<2>,4|C<3>}	102.7680	0.000	1	102.7680	0.000	1	102.7680	0.000	1	102.7680	0.000	1	102.7680	0.000	1	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5,6,6]	S[5]	3:2:1:1:	4:3:4:	4:4:	C[5,6,6]-3:S[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH)	S[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH){2|H<1>,5|C<3>}	S[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH){3|C<3>}	105.5260	0.000	1	105.5260	0.000	1	105.5260	0.000	1	105.5260	0.000	1	105.5260	0.000	1	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5,6]	S[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:S[5]-2:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6])(S[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH)	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[5,6])(S[5]C[5,6])(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	105.4205	0.047	2	105.4205	0.047	2	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5,6]	S[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:S[5]-2:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(S[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	105.2670	0.000	1	105.2670	0.000	1	105.2670	0.000	1	105.4205	0.047	2	105.4205	0.047	2	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	2:4:3:	5:4:	S[5]-2:C[5]-3:H-1:H-1:	O[5]-2:C[5]-4:N-3:	Ge[5,5]-5:C[5]-4:	C[5](S[5]Ge[5,5])(C[5]O[5]N)(H)2	C[5](O[5]Ge[5,5])(C[5]S[5]HH)(NCC)	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH)	C[5](S[5]Ge[5,5])(C[5]O[5]N)(H)2{1|C<4>,1|O<2>,1|S<2>}	C[5](O[5]Ge[5,5])(C[5]S[5]HH)(NCC){1|C<4>,1|O<2>,1|S<2>}	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	112.0760	0.065	2	112.0760	0.004	2	112.0760	0.004	2	110.6783	2.999	4	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	2:4:3:	5:4:	S[5]-2:C[5]-3:H-1:H-1:	O[5]-2:C[5]-4:N-3:	Si[5,5]-5:C[5]-4:	C[5](S[5]Si[5,5])(C[5]O[5]N)(H)2	C[5](O[5]Si[5,5])(C[5]S[5]HH)(NCC)	S[5](Si[5,5]O[5]2S[5]C)(C[5]C[5]HH)	C[5](S[5]Si[5,5])(C[5]O[5]N)(H)2{1|C<4>,1|O<2>,1|S<2>}	C[5](O[5]Si[5,5])(C[5]S[5]HH)(NCC){1|C<4>,1|O<2>,1|S<2>}	S[5](Si[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	109.2805	1.085	2	109.2805	1.178	2	109.2805	1.178	2	110.6783	2.999	4	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	3:4:1:	4:4:	S[5]-2:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2	C[5](N[5]C[5,5]C[5a])(C[5]S[5]HH)(O)	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2{3|C<3>}	C[5](N[5]C[5,5]C[5a])(C[5]S[5]HH)(O){4|C<3>}	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH){1|N<3>,2|O<1>,3|C<3>}	106.8040	0.000	1	106.8040	0.000	1	107.3940	0.696	2	107.6548	0.441	8	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	3:4:1:	4:4:	S[5]-2:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2	C[5](N[5]C[5,5]N)(C[5]S[5]HH)(O)	S[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	C[5](N[5]C[5,5]N)(C[5]S[5]HH)(O){2|C<4>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	107.9840	0.000	1	107.9840	0.000	1	107.3940	0.696	2	107.6548	0.441	8	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	3:4:1:	4:4:	S[5]-2:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O)	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{3|C<4>}	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O){2|C<4>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,3|C<4>,4|H<1>}	107.2060	0.363	2	107.2060	0.132	2	107.7417	0.442	6	107.6548	0.441	8	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	3:4:1:	4:4:	S[5]-2:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]S[5]HH)(O)	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[5,6]C[6a])(C[5]S[5]HH)(O){2|C<4>,2|N<2>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	107.3110	0.000	1	107.3110	0.000	1	107.7417	0.442	6	107.6548	0.441	8	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	3:4:1:	4:4:	S[5]-2:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	C[5](N[5]C[5,6]N)(C[5]S[5]HH)(O)	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	C[5](N[5]C[5,6]N)(C[5]S[5]HH)(O){2|C<4>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	108.2423	0.532	3	108.2423	0.283	3	107.7417	0.442	6	107.6548	0.441	8	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:1:1:	4:2:1:	4:4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:	C[5,6]-4:C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]H)(H)2	C[5](C[5]S[5]HH)(N[5]C[5,6])(H)	S[5](C[5,6]C[6,6]C[6]N[5])(C[5]C[5]HH)	C[5](S[5]C[5,6])(C[5]N[5]H)(H)2{2|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5,6])(H){2|C<4>}	S[5](C[5,6]C[6,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,2|O<2>,3|H<1>}	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:4:1:	3:4:1:	4:4:	S[5]-2:C[5]-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H)	C[5](N[5]C[5,6]N)(C[5]S[5]CH)(O)	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H){1|N<3>,2|C<4>}	C[5](N[5]C[5,6]N)(C[5]S[5]CH)(O){2|C<4>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:4:2:	3:4:1:	4:4:	S[5]-2:C[5]-3:C-4:O-2:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH)	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O)	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH){3|C<4>}	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O){2|C<4>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CO){1|O<1>,3|C<4>,4|H<1>}	104.4920	0.049	2	104.4920	0.002	2	104.4920	0.002	2	104.4920	0.002	2	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	2:3:4:3:	3:4:3:	4:4:	S[5]-2:C[5]-3:C-4:C-3:	N[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC)	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH)	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC){1|C<3>,2|C<4>}	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH){1|C<3>,1|C<4>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC){1|O<2>,2|C<4>,4|C<3>}	103.6750	0.000	1	103.6750	0.000	1	103.6750	0.000	1	103.6750	0.000	1	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	107.0700	2.099	2	107.0700	4.405	2	107.4502	0.956	27	107.4502	0.956	27	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	107.6486	0.787	8	107.5989	0.500	10	107.4502	0.956	27	107.4502	0.956	27	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O){1|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	107.4000	0.272	2	107.5989	0.500	10	107.4502	0.956	27	107.4502	0.956	27	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|C<4>,1|H<1>,2|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|O<1>}	107.6150	0.048	2	107.6150	0.002	2	107.4502	0.956	27	107.4502	0.956	27	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|H<1>,1|N<2>,2|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	108.8980	0.000	1	107.3689	1.274	13	107.4502	0.956	27	107.4502	0.956	27	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	107.2415	1.077	12	107.3689	1.274	13	107.4502	0.956	27	107.4502	0.956	27	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:3:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(S[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO)	S[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO){2|C<3>,2|H<1>}	S[5](C[5]C[5]HH)2{2|C<3>}	105.6120	0.000	1	105.6120	0.000	1	105.6120	0.000	1	105.9320	0.205	2	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	3:4:3:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)	S[5](C[5]C[5]HH)2	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	S[5](C[5]C[5]HH)2{2|C<3>}	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	105.9320	0.205	2	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:2:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(O[5]C[5])(O)	S[5](C[5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]O)(S[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5])(O){1|C<4>,1|H<1>}	S[5](C[5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]H)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	105.0555	0.121	2	105.0555	0.015	2	105.4007	0.365	3	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]N)(H)	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<3>}	C[5](C[5]S[5]HH)(C[5]C[5]N)(H){2|C<3>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>}	106.0910	0.000	1	106.0910	0.000	1	105.4007	0.365	3	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]2)(O)	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]2)(O){2|H<1>,3|C<4>}	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.3720	0.000	1	107.3720	0.000	1	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|O<1>}	108.5860	0.000	1	107.6687	0.648	3	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	107.2100	0.184	2	107.6687	0.648	3	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	107.4156	0.642	7	107.2401	0.599	8	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	106.0120	0.000	1	107.2401	0.599	8	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	S[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,2|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){2|C<4>}	S[5](C[5]C[5]HH)(C[5]N[5]CC){1|N<3>,1|O<1>}	107.3330	0.000	1	107.3330	0.000	1	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|N<2>,1|O<1>,2|C<3>}	108.0070	0.000	1	107.5855	0.355	2	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>}	107.1640	0.000	1	107.5855	0.355	2	107.3869	0.453	15	107.0558	0.996	18	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:4:4:	4:2:1:	4:4:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5])(O)	S[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]CC)(N[5]C[5])(O){1|C<3>,1|C<4>}	S[5](C[5]C[5a]N[5]C)(C[5]C[5]CC){1|N<2>,1|O<1>,1|S<2>}	105.2200	0.000	1	105.2200	0.000	1	105.2200	0.000	1	105.2200	0.000	1	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:2:4:4:	4:3:1:	4:4:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5]H)(O)	S[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]S[5]CC)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	S[5](C[5]C[5a]N[5]C)(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,1|S<2>}	105.0920	0.000	1	105.0920	0.000	1	105.0920	0.000	1	105.0920	0.000	1	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO){2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	103.7625	0.142	2	103.7625	0.020	2	103.7625	0.020	2	103.7625	0.020	2	107.0877	2.957	70	105.4364	9.192	101
474	818	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:3:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-3:S[5]-2:C-3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]H)(NOO)	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO){2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]H)(NOO){2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>}	101.5540	0.000	1	101.5540	0.000	1	101.5540	0.000	1	101.5540	0.000	1	107.0877	2.957	70	105.4364	9.192	101
474	818	891	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,6]	3:2:2:3:	4:3:1:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	104.3870	0.000	1	104.5920	0.358	3	104.5920	0.358	3	104.5920	0.358	3	102.8293	19.538	5	102.8293	19.538	5
474	818	891	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,6]	3:2:2:3:	4:3:1:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	105.2660	0.000	1	104.5920	0.358	3	104.5920	0.358	3	104.5920	0.358	3	102.8293	19.538	5	102.8293	19.538	5
474	818	891	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,6]	3:2:2:3:	4:3:1:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	104.1230	0.000	1	104.5920	0.358	3	104.5920	0.358	3	104.5920	0.358	3	102.8293	19.538	5	102.8293	19.538	5
474	818	891	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,6]	3:3:2:1:	4:3:1:	4:2:	N[5,5]-3:C[5,6]-3:S[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:S[5,6]-2:	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)	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(N[5,6]Si[5,5,6]C[6a])(H)	S[5,6](C[5,5,6]C[5,6]N[5,5]H)(S[5,6]Si[5,5,6])	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>}	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(N[5,6]Si[5,5,6]C[6a])(H){1|N<2>,1|S<2>,3|C<3>}	S[5,6](C[5,5,6]C[5,6]N[5,5]H)(S[5,6]Si[5,5,6]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	94.9827	0.000	1	94.9827	0.000	1	94.9827	0.000	1	94.9827	0.000	1	102.8293	19.538	5	102.8293	19.538	5
474	818	891	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,5]-4:S[5,6]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]H)(H)	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	105.3880	0.000	1	105.3880	0.000	1	105.3880	0.000	1	105.3880	0.000	1	102.8293	19.538	5	102.8293	19.538	5
474	818	892	0:SP3_SP2_SP3	C[5]	C[5,5]	N	3:3:4:1:	3:4:3:	4:1:1:1:	C[5,6a]-3:C[5,5]-3:N-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	N(C[5]C[5,6a]C[5,5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5,5]H)(H)3	113.0500	0.000	1	113.0500	0.000	1	113.0500	0.000	1	113.0500	0.000	1	113.0500	0.000	1	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:N[5]-2:O-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(N[5]O[5])(O)	N(C[5]C[5]2H)(H)3	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(N[5]O[5])(O){1|C<4>,1|H<1>}	N(C[5]C[5]2H)(H)3	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	110.5708	0.045	4	110.2623	3.377	9	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){2|C<4>,2|H<1>}	N(C[5]C[5]2H)(H)3	110.3280	0.000	1	110.3280	0.000	1	110.4980	0.036	3	110.5708	0.045	4	110.2623	3.377	9	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|C<4>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){2|C<4>,2|H<1>}	N(C[5]C[5]2H)(H)3	110.4630	0.000	1	110.5830	0.029	2	110.4980	0.036	3	110.5708	0.045	4	110.2623	3.377	9	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){4|H<1>}	N(C[5]C[5]2H)(H)3	110.7030	0.000	1	110.5830	0.029	2	110.4980	0.036	3	110.5708	0.045	4	110.2623	3.377	9	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:2:3:	4:4:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCC)	N(C[5]C[5]2H)(CC[6a]3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCC){1|O<1>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]3)(H)2	105.5310	0.000	1	105.5310	0.000	1	105.5310	0.000	1	105.5310	0.000	1	110.2623	3.377	9	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:3:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(O)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	N(C[5]C[5]2H)(H)3	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.2623	3.377	9	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:3:1:	4:4:4:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	111.4140	0.573	2	111.4140	0.328	2	111.3813	0.167	3	111.3813	0.167	3	110.2623	3.377	9	110.5411	3.778	10
474	818	892	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:1:	4:3:1:	4:4:4:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[5]C[5]2H)(CH3)2(H)	111.3160	0.000	1	111.3160	0.000	1	111.3813	0.167	3	111.3813	0.167	3	110.2623	3.377	9	110.5411	3.778	10
474	818	893	0:SP3_SP2_SP2	C[5,5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(O[5]C[5,5,6])(O)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(O[5]C[5,5,6])(O){1|C<3>,1|H<1>,5|C<4>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	112.1995	0.311	2	112.1995	0.311	2	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:3:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(O[5]C[5,5,6])(O)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC){1|C<4>,2|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(O[5]C[5,5,6])(O){1|O<2>,2|C<4>,2|F<1>,2|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	112.5940	0.000	1	112.5940	0.000	1	112.5940	0.000	1	112.1995	0.311	2	112.1995	0.311	2	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,5]	C[5]	O	4:3:3:2:	4:3:3:	4:3:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5]-4:C-3:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH)	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	114.4260	0.000	1	114.4260	0.000	1	114.4260	0.000	1	114.4260	0.000	1	112.5050	7.380	2	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,6]	C[5,6]	O	4:3:2:1:	4:4:3:	4:3:	C[5,5,6,6]-4:C[5,6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C-3:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH)	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	112.5050	7.380	2	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:3:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	105.7126	43.408	8	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,6]	C[5]	O	4:4:3:2:	4:3:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	103.8000	38.946	6	105.7126	43.408	8	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,6]	C[5]	O	4:4:3:2:	4:3:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	100.7430	0.000	1	101.2606	0.319	5	101.2606	0.319	5	103.8000	38.946	6	105.7126	43.408	8	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,6]	C[5]	O	4:4:3:2:	4:3:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	101.3900	0.560	4	101.2606	0.319	5	101.2606	0.319	5	103.8000	38.946	6	105.7126	43.408	8	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5,6]	C[5]	O	4:4:3:2:	4:4:3:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	105.7126	43.408	8	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5,6]	O	3:2:2:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H){1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]O[5]H)(CCO)	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.7387	3.608	4	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5,6]	O	3:2:2:1:	4:4:3:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:C-3:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H){3|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,6]O[5]H)(CCO)	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	110.7387	3.608	4	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5,6]	O	3:2:2:2:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:O-2:O-2:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	112.1230	0.683	2	112.1230	0.467	2	112.1230	0.467	2	112.1230	0.467	2	110.7387	3.608	4	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:2:2:1:	3:4:2:	3:4:	C[5]-3:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	110.7417	0.184	3	110.7417	0.034	3	110.7417	0.034	3	110.7417	0.034	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:2:2:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]O[5]H)(CC[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	O(C[5]C[5]O[5]H)(CC[5]H)	112.3658	2.300	5	112.3658	5.290	5	112.3658	5.290	5	112.3658	5.290	5	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:2:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	O(C[5]C[5]O[5]H)(CCO)	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:2:4:2:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O)	O(C[5]C[5]O[5]C)(CCH)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O){3|C<3>}	O(C[5]C[5]O[5]C)(CCH)	111.4835	0.094	2	111.4835	0.009	2	111.4835	0.009	2	113.1075	3.218	11	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:2:4:2:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O)	O(C[5]C[5]O[5]C)(CCH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O){3|C<3>}	O(C[5]C[5]O[5]C)(CCH)	114.5028	1.591	5	114.5028	2.532	5	113.4684	3.216	9	113.1075	3.218	11	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:2:4:2:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	O(C[5]C[5]O[5]C)(CCH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	O(C[5]C[5]O[5]C)(CCH)	112.1755	1.090	4	112.1755	1.188	4	113.4684	3.216	9	113.1075	3.218	11	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:2:4:2:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	O(C[5]C[5]O[5]C)(CC[6a]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5]O[5]C)(CC[6a]O)	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	3:4:1:	4:3:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	O(C[5]C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]H)(CC[6a]O)	106.3670	0.856	3	106.3670	0.734	3	107.3505	4.358	4	107.3502	3.269	5	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	3:4:1:	4:3:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,1|S<4>,2|C<3>}	O(C[5]C[5]N[5]H)(CCO)	110.3010	0.000	1	110.3010	0.000	1	107.3505	4.358	4	107.3502	3.269	5	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	3:4:1:	4:3:	N[5]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H){2|C<3>,2|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]H)(CCO)	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.3502	3.269	5	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CCO)	113.6380	0.000	1	113.6380	0.000	1	113.6380	0.000	1	110.2315	5.479	4	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:3:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O){1|C<3>,1|C<4>}	O(C[5]C[5]2H)(CC[6a]O)	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	110.2315	5.479	4	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:3:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	C[5](C[5]N[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]N[5]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]HO)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	O(C[5]C[5]N[5]H)(CC[5]H)	108.3560	0.000	1	108.3560	0.000	1	109.0445	0.948	2	110.2315	5.479	4	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:3:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	C[5](C[5]N[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]HO)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	O(C[5]C[5]N[5]H)(CCO)	109.7330	0.000	1	109.7330	0.000	1	109.0445	0.948	2	110.2315	5.479	4	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	105.6560	0.000	1	105.6560	0.000	1	105.6560	0.000	1	110.6460	49.800	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:3:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC){1|Si<4>,1|O<1>}	O(C[5]C[5]2H)(CC[6a]O)	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	110.6460	49.800	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:2:	3:4:1:	3:4:	C[5]-3:C[5]-3:O-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)2(OC[6a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[5](C[5]C[5,6a]O)2(OC[6a])2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2O)	109.6615	2.718	18	109.6615	7.390	18	109.6615	7.390	18	109.6615	7.390	18	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	113.1940	0.000	1	113.1940	0.000	1	113.1940	0.000	1	113.1940	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:2:2:	4:3:2:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	112.7730	0.000	1	112.7730	0.000	1	112.9335	0.052	2	111.5993	5.366	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	113.0940	0.000	1	113.0940	0.000	1	112.9335	0.052	2	111.5993	5.366	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	111.5993	5.366	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	3:4:3:	4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	114.1110	0.000	1	114.1110	0.000	1	114.2105	0.020	2	114.2105	0.020	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	3:4:3:	4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	114.3100	0.000	1	114.3100	0.000	1	114.2105	0.020	2	114.2105	0.020	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	4:2:3:	4:3:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-3:	C[5]-4:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	O(C[5]C[5]2C)(CCO)	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	112.9440	0.000	1	112.9440	0.000	1	112.5036	2.177	5	112.8092	2.302	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	114.8990	0.000	1	114.8990	0.000	1	112.5036	2.177	5	112.8092	2.302	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CHO)	111.6840	0.000	2	111.6840	0.000	2	112.5036	2.177	5	112.8092	2.302	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O)	O(C[5]C[5,6a]C[5]C)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CCO)	111.3070	0.000	1	111.3070	0.000	1	112.5036	2.177	5	112.8092	2.302	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:3:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	O(C[5]C[5]2C)(CCO)	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	112.8092	2.302	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:4:2:1:	3:3:4:	4:3:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,4|C<3>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O)	O(C[5]C[6a]C[5]2)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O){3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(CCO)	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CC[5a]O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[5]C[5]2H)(CC[5a]O)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	109.1493	4.371	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	105.7250	0.000	1	105.7250	0.000	1	105.7250	0.000	1	109.1493	4.371	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HO)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]2H)(CCO)	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	109.1493	4.371	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CCO)	110.3810	0.000	1	110.3810	0.000	1	110.2867	0.007	3	109.1493	4.371	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5]2H)(CCO)	110.2395	0.035	2	110.2395	0.001	2	110.2867	0.007	3	109.1493	4.371	6	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	3:4:2:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CCO)	110.0145	0.667	2	110.0145	0.445	2	110.0145	0.445	2	110.0145	0.445	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	3:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){4|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CCO)	110.0340	0.000	1	110.0340	0.000	1	109.2239	1.584	11	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CC[6]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6]O)	108.5775	1.911	2	108.5775	3.653	2	109.2239	1.584	11	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(COO)	108.1415	1.941	2	108.1415	3.768	2	109.2239	1.584	11	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(CCO)	111.0080	0.000	1	111.0080	0.000	1	109.2239	1.584	11	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.2700	0.000	1	109.0610	0.037	3	109.2239	1.584	11	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.9565	0.095	2	109.0610	0.037	3	109.2239	1.584	11	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	109.9000	0.580	2	109.9000	0.336	2	109.2239	1.584	11	109.0513	1.798	12	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:2:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C-3:	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCH)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCH){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	111.8615	1.718	2	111.8615	2.950	2	111.8615	2.950	2	111.8615	2.950	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[3,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[3,5]C[5]H)(CCO)	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]H)(H)	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|F<1>}	O(C[5]C[5]2H)(CC[6a]O)	105.8100	0.000	1	105.8100	0.000	1	109.7564	4.193	7	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.0510	0.000	1	110.0390	2.964	3	109.7564	4.193	7	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){3|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	111.0330	0.000	2	110.0390	2.964	3	109.7564	4.193	7	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H){1|N<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	110.4100	0.000	1	110.4100	0.000	1	109.7564	4.193	7	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]H)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H){1|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(C[5]S[5]H)(H){2|H<1>,2|O<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.9790	0.000	2	110.9790	0.000	2	109.7564	4.193	7	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(COO)	107.0800	0.000	1	107.0800	0.000	1	109.9660	6.724	5	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(O){4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.7310	0.000	1	107.7310	0.000	1	109.9660	6.724	5	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	109.8980	0.000	1	111.6730	2.416	3	109.9660	6.724	5	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	112.5605	0.325	2	111.6730	2.416	3	109.9660	6.724	5	109.7554	4.090	14	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH){2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:3:	C[3x5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC)	O(C[5]C[3x5]C[5]H)(CC[5a]O)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H){1|B<3>,1|O<2>,5|C<4>}	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC){2|C<4>,2|O<2>}	O(C[5]C[3x5]C[5]H)(CC[5a]O)	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	108.4605	1.174	4	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.4810	0.000	1	107.4810	0.000	1	108.1017	0.988	3	108.4605	1.174	4	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH)	O(C[5]C[5]2H)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH){2|H<1>}	O(C[5]C[5]2H)(CCO)	108.4120	1.182	2	108.4120	1.398	2	108.1017	0.988	3	108.4605	1.174	4	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH)	O(C[5]C[5,5]C[5]H)(CC[5a]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H){1|O<2>,5|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH){2|C<4>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[5a]O)	110.5860	0.000	1	110.5860	0.000	1	110.1695	0.347	2	110.2537	0.195	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CCO)	109.7530	0.000	1	109.7530	0.000	1	110.1695	0.347	2	110.2537	0.195	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]O)	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.2537	0.195	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CCO)	106.3320	0.000	1	106.3320	0.000	1	106.3320	0.000	1	106.3320	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	O(C[5]C[5,3x6]C[5]H)(CCO)	114.4620	0.000	1	114.4620	0.000	1	112.7940	5.564	2	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH)	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	O(C[5]C[5,3x6]C[5]H)(CCO)	111.1260	0.000	1	111.1260	0.000	1	112.7940	5.564	2	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	113.3270	0.000	1	113.8655	0.580	2	113.8655	0.580	2	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	114.4040	0.000	1	113.8655	0.580	2	113.8655	0.580	2	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	110.9910	1.578	2	110.9910	2.491	2	109.0830	5.965	5	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H){4|H<1>}	O(C[5]C[5]2H)(CNO)	105.3950	0.000	1	105.3950	0.000	1	109.0830	5.965	5	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH){1|C<4>,1|H<1>,1|S<4>}	O(C[5]C[5]2H)(CC[6a]O)	108.5290	0.000	1	108.5290	0.000	1	109.0830	5.965	5	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH){1|S<4>,2|H<1>}	O(C[5]C[5]2H)(CCO)	109.5090	0.000	1	109.5090	0.000	1	109.0830	5.965	5	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H){1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	110.6487	8.950	10	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:2:2:	4:2:1:	4:3:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC){2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(CC[6a]O)	104.0070	0.000	1	104.0070	0.000	1	104.0070	0.000	1	104.0070	0.000	1	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:3:2:	3:4:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-4:O-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	C[5](N[5]C[6a]N[5])(C[5]C[5]2O)(O)	O(C[6a]C[6a]2)(C[5]C[5]3)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2O)(O){1|C<4>,1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]3)	114.3560	0.470	2	114.3560	0.220	2	114.3560	0.220	2	114.3560	0.220	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:3:2:	4:2:4:	3:4:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5]-4:N[5]-2:C-4:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH)	O(C[6a]C[6a]2)(C[5]C[5]3)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH){1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]3)	115.4030	0.882	2	115.4030	0.779	2	115.4030	0.779	2	115.4030	0.779	2	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:3:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(O){3|C<4>}	O(C[5]C[5,6]C[5]C)(CCO)	105.7500	0.344	2	105.7500	0.118	2	105.2010	0.963	3	105.2010	0.963	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP2	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:3:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O)	O(C[5]C[5,6]C[5]C)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]C)(CC[6a]O)	104.1030	0.000	1	104.1030	0.000	1	105.2010	0.963	3	105.2010	0.963	3	110.4243	8.136	130	110.2622	10.856	147
474	818	893	0:SP3_SP2_SP3	C[5,3x6]	C[5,6]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C)	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	114.5440	0.000	1	114.5440	0.000	1	114.5440	0.000	1	112.5192	1.562	5	112.5192	1.562	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,3x6]	C[5,6]	O	4:4:3:2:	4:3:3:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	112.0455	0.527	2	112.2400	0.252	3	112.0130	0.374	4	112.5192	1.562	5	112.5192	1.562	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,3x6]	C[5,6]	O	4:4:3:2:	4:3:3:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	112.6290	0.000	1	112.2400	0.252	3	112.0130	0.374	4	112.5192	1.562	5	112.5192	1.562	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,3x6]	C[5,6]	O	4:4:3:2:	4:3:3:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	111.3320	0.000	1	111.3320	0.000	1	112.0130	0.374	4	112.5192	1.562	5	112.5192	1.562	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	3:2:3:2:	4:3:3:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO)	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	3:2:3:2:	4:3:4:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:2:3:2:	4:3:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H)	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H){1|C<3>,3|C<4>}	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	120.7940	0.074	2	120.7940	0.005	2	120.7940	0.005	2	121.2043	0.508	3	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:2:3:2:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H)	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	121.2043	0.508	3	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:3:3:2:	3:4:1:	4:4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:O-2:	C[5,5,6]-3:C[5,5,6]-4:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H){2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:3:3:2:	4:4:3:	4:4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH)	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:3:4:2:	4:4:1:	4:4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(O)	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	108.6986	0.464	8	108.6986	0.215	8	108.6986	0.215	8	108.6986	0.215	8	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:2:1:	4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(O[5,6]C[5,5,6,6])(O)	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(O[5,6]C[5,5,6,6])(O){1|O<2>,2|H<1>,3|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	116.2575	0.352	2	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:2:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(O[5,6]C[5,5,6,6])(O)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(O[5,6]C[5,5,6,6])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	116.2575	0.352	2	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(O[5,6]C[5,5,6,6])(O)	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC){3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(O[5,6]C[5,5,6,6])(O){1|H<1>,1|S<2>,4|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	117.9400	0.000	1	117.9400	0.000	1	117.9400	0.000	1	117.9400	0.000	1	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:3:1:	4:4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H)	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H){2|H<1>,7|C<4>}	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	117.4900	0.146	2	117.4900	0.021	2	117.4900	0.021	2	117.4900	0.021	2	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:1:	4:1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]O)(C[5,6,6]C[5,5,6,6]C[6]H)(O)	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]O)(C[5,6,6]C[5,5,6,6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	112.8030	12.985	2	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(O)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(O){1|C<4>,5|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	112.8030	12.985	2	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:3:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH){1|C<4>,5|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	115.5230	0.514	3	115.5230	0.264	3	115.5230	0.264	3	115.5230	0.264	3	114.2405	22.478	26	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH)	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(O)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(O){1|O<2>,5|C<4>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	110.1623	3.123	4	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O	4:4:3:2:	4:3:3:	4:1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO){1|C<3>,1|O<2>,6|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	111.1285	3.594	2	110.1623	3.123	4	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	C[5](C[5,5,6]C[5,5,6]C[5,6]O)(C[5]C[5]H)(CCO)	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O)(C[5]C[5]H)(CCO){1|C<3>,3|C<4>,3|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	111.1285	3.594	2	110.1623	3.123	4	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O	4:4:3:2:	4:3:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3){1|O<1>,2|O<2>,3|C<4>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.1623	3.123	4	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	3:2:4:2:	3:4:3:	4:4:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5])	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	118.4025	0.001	2	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	3:3:2:2:	4:4:3:	4:4:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C-4:	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C)	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	118.3820	0.000	1	118.3820	0.000	1	118.3820	0.000	1	118.3820	0.000	1	118.4025	0.001	2	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5,6]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	110.8480	0.000	1	110.8480	0.000	1	112.1975	1.003	4	112.1975	1.003	4	112.1975	1.003	4	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5,6]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	112.0250	0.000	1	112.6473	0.291	3	112.1975	1.003	4	112.1975	1.003	4	112.1975	1.003	4	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5,6]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	112.9585	0.016	2	112.6473	0.291	3	112.1975	1.003	4	112.1975	1.003	4	112.1975	1.003	4	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	104.1040	0.000	1	104.1040	0.000	1	104.1040	0.000	1	108.7230	18.819	6	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O)	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O){4|C<3>}	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	104.1980	0.000	1	104.1980	0.000	1	104.1980	0.000	1	108.7230	18.819	6	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	N[3x5]-3:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:Br-1:	C[5,5]-4:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH){2|C<4>,4|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[5,5]N[3x5]C[5]2)(H)	111.0090	3.234	4	111.0090	10.460	4	111.0090	10.460	4	108.7230	18.819	6	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO)	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO){5|C<3>}	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	105.4610	0.000	1	105.4610	0.000	1	107.3660	7.258	2	107.3660	7.258	2	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO)	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO){5|C<3>}	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	109.2710	0.000	1	109.2710	0.000	1	107.3660	7.258	2	107.3660	7.258	2	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	3:4:1:	4:1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O)	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O){2|C<4>,2|H<1>,3|C<3>}	O(C[5,5]N[5,5]C[5]2)(H)	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	110.0455	4.392	4	110.0455	19.290	4	110.3891	7.351	11	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	110.5854	1.576	7	110.5854	2.483	7	110.3891	7.351	11	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]2)(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]2)(O){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	105.5320	0.000	1	105.5320	0.000	1	105.9410	3.918	7	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<4>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	106.0160	0.000	1	106.0804	5.791	5	105.9410	3.918	7	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<2>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	104.7260	0.556	3	106.0804	5.791	5	105.9410	3.918	7	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	110.2080	0.000	1	106.0804	5.791	5	105.9410	3.918	7	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[6a]C[5])(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[6a]C[5])(O){1|H<1>,1|S<2>,5|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	105.6530	0.000	1	105.6530	0.000	1	105.9410	3.918	7	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:Br-1:	C[5,5]-4:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH){2|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){2|Br<1>,1|H<1>,3|C<4>}	O(C[5,5]N[3x5]C[5]2)(H)	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH)	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]H)(H)	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5,5]N[5,5]C[5]2)(H)	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	108.8129	10.563	20	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC)	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H)	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC){3|C<3>,3|H<1>}	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H){1|C<4>,4|C<3>}	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:4:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(O){1|N<3>,2|H<1>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	106.9300	8.266	2	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:4:1:	4:1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(O)	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH){2|C<4>,6|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(O){2|Br<1>,1|H<1>,3|C<4>}	O(C[5,5]N[3x5]C[5]2)(H)	104.8970	0.000	1	104.8970	0.000	1	104.8970	0.000	1	106.9300	8.266	2	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:4:2:	4:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN)	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN){1|C<4>,2|H<1>,3|C<3>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:3:	4:1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	109.2595	2.894	2	109.2595	8.376	2	109.2595	8.376	2	109.5390	4.423	3	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:3:	4:1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	109.5390	4.423	3	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:2:3:2:	4:2:1:	4:1:	C[3x5,6]-4:O[5]-2:C[5]-3:O-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH)	C[5](C[5,5]C[3x5,6]O[5]O)(O[5]C[5,5,6])(O)	O(C[5,5]C[3x5,6]C[5]O[5])(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH){4|H<1>,5|C<4>}	C[5](C[5,5]C[3x5,6]O[5]O)(O[5]C[5,5,6])(O){5|C<4>}	O(C[5,5]C[3x5,6]C[5]O[5])(H)	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:2:3:2:	4:3:3:	4:1:	C[5,5]-4:O[5]-2:C[5]-3:O-2:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH){1|C<4>,1|O<1>,2|C<3>}	O(C[5,5]C[5,5]C[5]O[5])(H)	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:2:2:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:Si-4:	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H)	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi){2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	113.0720	0.000	1	113.0720	0.000	1	111.9762	2.458	6	111.3980	4.388	7	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	110.7720	2.452	2	111.0720	3.277	3	111.9762	2.458	6	111.3980	4.388	7	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	111.6720	0.000	1	111.0720	3.277	3	111.9762	2.458	6	111.3980	4.388	7	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	112.7845	0.882	2	112.7845	0.778	2	111.9762	2.458	6	111.3980	4.388	7	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:N[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[5,5]C[5,5]C[5]N[5])(H)	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	111.3980	4.388	7	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5,6])(O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5,6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[5,5]C[5,5,6]C[5]2)(H)	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,5]C[3,5]N[5,5]C[5])(H)	112.9600	0.818	4	112.9600	0.669	4	112.9600	0.669	4	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,5]C[5,5,6]C[5]2)(H)	115.2590	0.000	1	115.2590	0.000	1	115.2590	0.000	1	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	112.7580	0.000	1	112.7580	0.000	1	112.6257	0.060	4	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	112.2600	0.000	1	112.5817	0.079	3	112.6257	0.060	4	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	112.7425	0.046	2	112.5817	0.079	3	112.6257	0.060	4	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){2|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O){1|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	112.7930	0.000	2	112.7930	0.000	2	112.7930	0.000	2	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:N[5]-3:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[6a]C[5])(O)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH){1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,5]C[5]N[5])(H)	114.1593	0.880	4	114.1593	0.774	4	114.1593	0.774	4	113.2714	0.907	17	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:4:	C[5,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC)	C[5](C[5,5]C[5,5]N[5,5]O)(N[5]C[5]H)(O)	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5,5]O)(N[5]C[5]H)(O){1|H<1>,1|N<3>,1|S<1>,2|C<4>}	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	112.4380	1.008	2	112.4380	1.017	2	112.4380	1.017	2	111.1360	3.134	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:1:	4:4:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C-4:	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC)	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]H)(O)	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]H)(O){1|C<3>,1|H<1>,3|C<4>}	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	109.8340	1.267	2	109.8340	1.606	2	109.8340	1.606	2	111.1360	3.134	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO){1|C<4>,1|N<3>,3|C<3>}	O(C[5,5]C[5,5,6]C[5]2)(H)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	112.5699	5.218	8	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	O(C[5,5]C[5,5,6]C[5]2)(H)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	112.5699	5.218	8	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO){1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	112.5699	5.218	8	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO){1|O<1>,1|O<2>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	115.0850	0.000	1	115.0850	0.000	1	112.6850	6.266	3	112.5699	5.218	8	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O){1|O<1>,1|O<2>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	111.4850	1.973	2	111.4850	3.892	2	112.6850	6.266	3	112.5699	5.218	8	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO){1|O<1>,1|O<2>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	114.9050	0.296	2	114.9050	0.087	2	114.9050	0.087	2	112.5699	5.218	8	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]HH)(O)	O(C[5,5]C[5,6]N[5,5]C[5])(H)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]HH)(O){1|C<3>,1|O<1>,3|C<4>}	O(C[5,5]C[5,6]N[5,5]C[5])(H)	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	113.6010	2.249	2	112.1610	4.769	4	112.1610	4.769	4	112.1610	4.769	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	110.0300	0.000	1	112.1610	4.769	4	112.1610	4.769	4	112.1610	4.769	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[5,5]C[5,5,6]C[5]2)(H)	111.4120	0.000	1	112.1610	4.769	4	112.1610	4.769	4	112.1610	4.769	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5,6])(O)	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5,6])(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O(C[5,5]C[3x5]C[5]2)(H)	105.0660	0.000	1	105.0660	0.000	1	108.1215	18.672	2	107.3560	8.903	5	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(O)	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH){1|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(O){2|H<1>,2|O<2>,3|C<4>}	O(C[5,5]C[3x5]C[5]2)(H)	111.1770	0.000	1	111.1770	0.000	1	108.1215	18.672	2	107.3560	8.903	5	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(O[5]C[5])(O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(O[5]C[5])(O){3|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	106.8457	2.737	3	106.8457	7.492	3	106.8457	7.492	3	107.3560	8.903	5	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:2:2:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:O[5]-2:C-2:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(O[5]C[5])(CH)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(O[5]C[5])(CH){3|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	103.8410	0.000	1	103.8410	0.000	1	103.8410	0.000	1	103.8410	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH)	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H)	O(C[5,5]C[5,5]2C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5]2C[5])(H)	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	109.8865	2.713	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	108.4980	0.000	2	108.4980	0.000	2	108.4980	0.000	2	109.8865	2.713	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]N)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]N)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	111.7380	0.000	1	111.7380	0.000	1	111.7380	0.000	1	109.8865	2.713	4	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]H)(CCO)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	109.7655	0.030	2	109.7655	0.001	2	109.7655	0.001	2	109.7887	0.002	3	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]C)(CCO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]C)(CCO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	109.7887	0.002	3	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:3:4:	4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3)	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3){1|H<1>,3|C<4>,3|O<2>}	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:2:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH){1|C<3>,1|N<3>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.9460	0.000	1	113.9460	0.000	1	113.9460	0.000	1	111.3500	13.478	2	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:2:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:N-2:	C[5,5]-4:H-1:	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	111.3500	13.478	2	110.4698	9.402	98	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	3:3:4:	4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	O(C[5,6,6]C[5,6,6]3)(CCHH)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	O(C[5,6,6]C[5,6,6]3)(CCHH)	109.4785	5.294	2	109.4785	28.028	2	109.4920	18.349	4	109.4920	18.349	4	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	3:3:4:	4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	O(C[5,6,6]C[5,6,6]3)(CH3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	O(C[5,6,6]C[5,6,6]3)(CH3)	109.5055	5.198	2	109.5055	27.019	2	109.4920	18.349	4	109.4920	18.349	4	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	3:4:3:	4:1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	O(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(H)	113.4250	0.093	2	113.4250	0.009	2	113.4250	0.009	2	113.4250	0.009	2	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	3:4:3:	4:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	3:4:4:	4:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:3:4:	4:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2){2|C<4>,3|O<2>,6|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6]3)(CCHH)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2){2|C<4>,2|O<2>,6|C<3>}	O(C[5,6,6]C[5,6,6]3)(CCHH)	115.5885	0.807	2	115.5885	0.651	2	113.8598	13.002	8	113.5322	12.175	14	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6]3)(CH3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2){2|C<4>,2|O<2>,6|C<3>}	O(C[5,6,6]C[5,6,6]3)(CH3)	116.1495	1.252	2	116.1495	1.568	2	113.8598	13.002	8	113.5322	12.175	14	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6]3)(CCHH)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	O(C[5,6,6]C[5,6,6]3)(CCHH)	111.5180	5.267	2	111.5180	27.736	2	113.8598	13.002	8	113.5322	12.175	14	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6]3)(CH3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	O(C[5,6,6]C[5,6,6]3)(CH3)	112.1830	5.292	2	112.1830	28.005	2	113.8598	13.002	8	113.5322	12.175	14	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	112.6025	0.071	2	112.6025	0.005	2	113.0955	13.053	6	113.5322	12.175	14	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	116.6000	1.006	2	113.3420	21.510	4	113.0955	13.053	6	113.5322	12.175	14	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	110.0840	4.589	2	113.3420	21.510	4	113.0955	13.053	6	113.5322	12.175	14	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:4:4:2:	4:4:3:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	118.0123	0.808	3	115.2323	9.538	6	115.2323	9.538	6	115.2323	9.538	6	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:4:4:2:	4:4:3:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,7|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	112.4920	0.044	2	115.2323	9.538	6	115.2323	9.538	6	115.2323	9.538	6	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:4:4:2:	4:4:3:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<1>,6|C<4>,6|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	112.3730	0.000	1	115.2323	9.538	6	115.2323	9.538	6	115.2323	9.538	6	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	4:3:3:2:	4:4:3:	4:2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	O(C[5,6,6]C[5,6,6]3)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	O(C[5,6,6]C[5,6,6]3)(OC)	106.1557	8.832	2	106.1557	78.009	2	106.1557	78.009	2	106.1557	78.009	2	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:3:4:	4:2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:O-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<3>}	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	102.9900	0.000	1	102.9900	0.000	1	102.9900	0.000	1	102.9900	0.000	1	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	112.4297	20.225	34	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O	3:3:3:2:	4:4:3:	4:1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	O(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	O(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(H)	111.4330	0.048	2	111.4330	0.002	2	111.4330	0.002	2	111.4330	0.002	2	112.7363	5.097	3	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O)	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	112.7363	5.097	3	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O	4:3:3:2:	4:4:3:	4:4:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:Si-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	111.1372	14.526	6	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O	4:4:3:2:	4:3:1:	4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H)	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	111.1372	14.526	6	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O	4:4:3:2:	4:3:3:	4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	113.3760	0.034	2	113.3760	0.001	2	113.3760	0.001	2	113.3760	0.001	2	111.1372	14.526	6	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)(O)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)(O){2|H<1>,5|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	104.7970	0.000	1	104.7970	0.000	1	104.7970	0.000	1	109.5570	45.315	2	111.1372	14.526	6	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O	4:4:3:2:	4:4:1:	4:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5,5]-4:O-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5,5]C[3x5,6,6]C[5]H)(O)	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5,5]C[3x5,6,6]C[5]H)(O){1|C<3>,2|N<3>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	109.5570	45.315	2	111.1372	14.526	6	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	3:4:4:2:	3:4:4:	4:1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	115.4000	0.000	1	115.4000	0.000	1	115.4000	0.000	1	115.4000	0.000	1	112.8930	12.570	2	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:3:3:2:	3:4:4:	4:1:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	112.8930	12.570	2	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:2:2:	4:4:3:	4:4:	C[5,6]-3:N[5]-3:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC)	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	113.8870	0.421	3	113.8870	0.177	3	113.8870	0.177	3	113.8870	0.177	3	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(H)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(H)	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	110.8650	7.638	7	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|N<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	113.1780	0.000	1	113.1780	0.000	1	111.7818	2.105	6	110.8650	7.638	7	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	112.5660	0.419	2	112.5660	0.175	2	111.7818	2.105	6	110.8650	7.638	7	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	109.2500	0.000	1	109.2500	0.000	1	111.7818	2.105	6	110.8650	7.638	7	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	112.1430	0.000	1	112.1430	0.000	1	111.7818	2.105	6	110.8650	7.638	7	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	110.9880	0.000	1	110.9880	0.000	1	111.7818	2.105	6	110.8650	7.638	7	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:3:4:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|I<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	101.5030	0.000	1	101.5030	0.000	1	101.5030	0.000	1	101.5030	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	109.6235	5.201	2	109.6235	27.048	2	110.3748	20.233	4	110.3748	20.233	4	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:3:2:	4:4:3:	4:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	111.1260	5.603	2	111.1260	31.395	2	110.3748	20.233	4	110.3748	20.233	4	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:4:2:	4:2:4:	4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6]-4:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO)	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH)	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:4:2:	4:3:2:	4:1:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5,6]-4:N[5]-3:N[6]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a]){1|O<1>,4|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.3435	0.015	2	108.3435	0.000	2	108.3435	0.000	2	108.3435	0.000	2	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:3:4:2:	4:4:2:	4:1:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a]){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	3:4:2:	4:4:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	112.8680	0.000	1	112.8680	0.000	1	112.8680	0.000	1	112.8680	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:3:2:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5])	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,1|P<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	109.8600	0.000	1	109.8600	0.000	1	111.6560	6.451	2	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	113.4520	0.000	1	113.4520	0.000	1	111.6560	6.451	2	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	115.1495	0.101	2	115.1495	0.010	2	114.4633	2.394	11	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	114.3450	0.711	2	114.7750	0.680	6	114.4633	2.394	11	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	115.6240	0.000	1	114.7750	0.680	6	114.4633	2.394	11	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	115.8640	0.000	1	114.7750	0.680	6	114.4633	2.394	11	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	114.2360	0.195	2	114.7750	0.680	6	114.4633	2.394	11	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	114.3270	0.000	1	113.3823	7.750	3	114.4633	2.394	11	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	112.9100	3.763	2	113.3823	7.750	3	114.4633	2.394	11	114.0314	3.644	13	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	115.1410	1.569	5	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	115.2630	0.000	1	115.2630	0.000	1	115.5083	1.435	3	115.1410	1.569	5	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H){1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	115.6310	1.667	2	115.6310	2.780	2	115.5083	1.435	3	115.1410	1.569	5	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5])	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5]){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	115.1410	1.569	5	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	3:4:4:	4:1:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.6460	4.366	2	114.6460	19.059	2	114.6460	19.059	2	114.6460	19.059	2	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:3:2:	4:4:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5])	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	3:4:2:	4:4:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5])	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	103.3335	0.771	2	103.3335	0.595	2	103.3335	0.595	2	103.3335	0.595	2	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:3:3:	4:1:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.2760	0.069	2	105.2760	0.005	2	105.2760	0.005	2	105.2760	0.005	2	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:3:4:	4:1:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]2C[5])(H)	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:1:	4:1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:3:2:2:	4:3:3:	4:1:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C)	O(C[5,6]C[5,6]2O[6])(H)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C){1|O<2>,4|C<4>}	O(C[5,6]C[5,6]2O[6])(H)	121.8430	0.000	1	121.8430	0.000	1	121.8430	0.000	1	121.8430	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:3:2:2:	4:4:3:	4:1:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C)	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[5,6]C[5,6]2O[5])(H)	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	109.2400	2.067	3	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:3:2:2:	4:4:3:	4:1:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	O(C[5,6]C[5,6]C[6,6]O[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5,6]C[5,6]C[6,6]O[5])(H)	110.0700	0.000	2	110.0700	0.000	2	110.0700	0.000	2	109.2400	2.067	3	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	O(C[5,6]C[5,6a]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	O(C[5,6]C[5,6a]C[5,6]2)(H)	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:4:3:	4:1:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:3:4:2:	4:3:3:	4:1:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O)	O(C[5,6]C[4,6]C[5,6]C[5])(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O(C[5,6]C[4,6]C[5,6]C[5])(H)	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	111.5345	16.845	56	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	2:3:3:2:	4:4:3:	4:1:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC){1|C<3>,1|H<1>,2|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	113.7985	0.175	2	113.7985	0.031	2	113.7985	0.031	2	113.7985	0.031	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	2:4:3:2:	4:3:1:	4:1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[5](C[5,6]O[5,6]C[6]O)(N[5]C[5,6]C[6a])(O)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(N[5]C[5,6]C[6a])(O){2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	113.7355	0.409	2	113.7355	0.168	2	113.7355	0.168	2	113.7355	0.168	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	2:4:3:2:	4:4:3:	4:1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	116.3590	0.144	2	116.3590	0.021	2	116.3590	0.021	2	116.3590	0.021	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]N[5,6]C[5]C[6])(H)	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:3:4:2:	3:4:1:	4:4:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:3:4:2:	4:3:3:	4:1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH)	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	O(C[5,6]N[5,6]C[5]C[6])(H)	112.8583	0.309	3	112.8583	0.096	3	112.8583	0.096	3	112.8583	0.096	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:2:1:	4:1:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.1560	1.143	2	109.1560	1.306	2	109.1560	1.306	2	109.1560	1.306	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:H-1:	C[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)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[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)(OH){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	104.7320	0.000	1	104.7320	0.000	1	104.7320	0.000	1	110.5370	25.333	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(N[5]C[5,6]H)(O)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(N[5]C[5,6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	110.5370	25.333	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O)	O(C[5,6]C[5,6]N[6,6]C[5])(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O){1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]N[6,6]C[5])(H)	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	110.5370	25.333	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:3:1:	4:4:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:Si-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O)	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	109.5357	1.150	3	109.5357	1.324	3	109.5357	1.324	3	109.5357	1.324	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(O)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	102.4290	0.000	1	102.4290	0.000	1	102.4290	0.000	1	102.4290	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:2:3:2:	4:3:1:	4:1:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	C[5](C[5,6]C[5,6]O[6]O)(N[5]C[6a]C[5])(O)	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]O[6]O)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,3|C<3>}	O(C[5,6]C[5,6]C[5]O[6])(H)	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	113.4255	11.971	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:2:3:2:	4:3:1:	4:1:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H)	O(C[5,6]C[6,6]O[5,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H){1|H<1>,4|C<4>}	O(C[5,6]C[6,6]O[5,6]C[5])(H)	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	113.4255	11.971	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5,6])(O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5,6])(O){1|H<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	107.6118	24.171	4	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	107.6118	24.171	4	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	107.6118	24.171	4	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O){1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	100.6430	0.000	1	100.6430	0.000	1	100.6430	0.000	1	107.6118	24.171	4	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:2:1:	4:4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[5](C[5,6]C[5,5,6]C[6,6a]O)(O[5]C[5,5])(O)	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[6,6a]O)(O[5]C[5,5])(O){1|H<1>,5|C<3>}	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	109.4833	0.680	3	109.4833	0.463	3	109.4833	0.463	3	109.4833	0.463	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5,5]H)(O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5,5]H)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	110.5935	0.203	2	110.5935	0.041	2	110.5935	0.041	2	110.7365	1.312	4	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.2600	0.000	1	112.2600	0.000	1	110.8795	3.812	2	110.7365	1.312	4	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.4990	0.000	1	109.4990	0.000	1	110.8795	3.812	2	110.7365	1.312	4	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:3:2:	4:1:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5])	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5]){1|O<2>,2|C<4>,5|C<3>}	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O)	O(C[5,6]C[5,3x6]C[5]N[6])(H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O){1|C<3>,2|H<1>,6|C<4>}	O(C[5,6]C[5,3x6]C[5]N[6])(H)	107.4300	0.632	2	107.4300	0.400	2	107.4300	0.400	2	107.4300	0.400	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:4:3:	4:4:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:Si-4:	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH)	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH){1|C<4>,2|O<2>,3|C<3>}	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	115.0235	0.185	2	115.0235	0.034	2	115.0235	0.034	2	113.6367	5.787	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:3:2:	4:4:3:	4:4:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH)	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	113.6367	5.787	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:4:2:	3:4:2:	4:4:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-4:N-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO){2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]O)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]O)(O){1|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(O)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(O){1|S<2>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.6000	0.000	1	110.6000	0.000	1	107.8120	15.546	2	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	105.0240	0.000	1	105.0240	0.000	1	107.8120	15.546	2	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]2O)(O[5]C[5])(O)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2O)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]2C[5])(H)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.1140	0.000	1	110.1140	0.000	1	110.3315	0.095	2	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.5490	0.000	1	110.5490	0.000	1	110.3315	0.095	2	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5,6])(O)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5,6])(O){1|O<2>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.4530	0.000	1	105.4530	0.000	1	104.1270	3.517	2	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	102.8010	0.000	1	102.8010	0.000	1	104.1270	3.517	2	108.6881	11.911	9	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	105.1530	0.000	1	105.1530	0.000	1	105.1530	0.000	1	105.1530	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5]H)(O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	111.2990	0.706	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	111.2990	0.706	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.6420	0.000	1	110.6420	0.000	1	108.7815	6.923	2	108.7815	6.923	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.9210	0.000	1	106.9210	0.000	1	108.7815	6.923	2	108.7815	6.923	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.6680	0.000	1	105.6680	0.000	1	105.6680	0.000	1	105.6680	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:4:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O){1|Br<1>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	102.3470	0.000	1	102.3470	0.000	1	107.2710	48.492	2	107.2710	48.492	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O){1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.1950	0.000	1	112.1950	0.000	1	107.2710	48.492	2	107.2710	48.492	2	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.3260	0.000	1	112.3260	0.000	1	113.2028	1.327	5	113.2028	1.327	5	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.7135	0.375	2	112.7135	0.141	2	113.2028	1.327	5	113.2028	1.327	5	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.1305	1.483	2	114.1305	2.199	2	113.2028	1.327	5	113.2028	1.327	5	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:3:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	112.7053	14.308	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:3:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH)	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	115.4270	0.000	1	115.4270	0.000	1	111.9065	24.788	2	112.7053	14.308	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:3:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH)	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	108.3860	0.000	1	108.3860	0.000	1	111.9065	24.788	2	112.7053	14.308	3	110.4743	12.721	67	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	3:3:2:2:	4:4:3:	4:4:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	O(C[5]C[5,5]C[6a]N[5])(CH3)	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5,5]C[6a]N[5])(CH3)	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	113.4614	6.118	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	3:3:3:2:	3:4:3:	4:1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5,5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	O(C[5]C[5,6a]C[5,5]C[6a])(H)	112.6635	0.926	2	112.6635	0.857	2	112.6635	0.857	2	112.6635	0.857	2	113.4614	6.118	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:2:	4:1:	C[5,5]-3:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:N[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HO)(N[5]O[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HO)(N[5]O[5]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	116.9990	0.000	1	116.9990	0.000	1	116.9990	0.000	1	116.9990	0.000	1	113.4614	6.118	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	3:4:3:2:	3:3:4:	4:4:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	N[5,5]-3:N[5]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O)	O(C[5]C[5,5]C[5]2)(CCHH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O){2|C<3>,2|N<3>,4|H<1>}	O(C[5]C[5,5]C[5]2)(CCHH)	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	113.4614	6.118	5	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	3:4:2:1:	4:3:4:	4:1:	C[5,6,6]-3:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H){1|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO){1|N<3>,4|C<4>,6|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	112.9990	0.000	1	112.9990	0.000	1	112.9990	0.000	1	112.9990	0.000	1	112.9990	0.000	1	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:2:2:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H){1|O<2>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O){1|O<1>,3|C<3>}	O(C[5]C[5,6]O[5]H)(CH3)	107.3000	0.000	1	107.3000	0.000	1	107.3000	0.000	1	106.5680	1.072	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:2:2:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	105.8360	0.000	1	105.8360	0.000	1	105.8360	0.000	1	106.5680	1.072	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:2:2:1:	4:3:4:	4:1:	C[5,6]-3:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H){1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	O(C[5]C[5,6]O[5]H)(H)	113.8325	0.542	2	113.8325	0.294	2	113.8325	0.294	2	113.8325	0.294	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:2:4:2:	3:4:3:	4:1:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5,6]O[5]C)(H)	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:2:1:	3:4:4:	4:2:	C[5,6]-3:N[5]-3:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:O-2:	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6]N[5]H)(OH)	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>}	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	O(C[5]C[5,6]N[5]H)(OH)	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:2:1:	4:3:4:	4:1:	C[5,6]-3:N[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	O(C[5]C[5,6]N[5]H)(H)	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>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6]N[5]H)(H)	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:2:1:	4:3:4:	4:4:	C[5,6]-3:C[5]-3:O-2:I-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	O(C[5]C[5,6]C[5]I)(C[5]C[5,6a]2O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	O(C[5]C[5,6]C[5]I)(C[5]C[5,6a]2O)	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:2:1:	4:4:3:	4:1:	C[5,6a]-3:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6]H)(H)	113.4765	0.168	2	113.4765	0.028	2	113.4765	0.028	2	113.4765	0.028	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:2:2:	3:4:4:	4:1:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[5,6]C[5]O[5])(H)	115.0300	0.000	1	115.0300	0.000	1	115.0300	0.000	1	115.0300	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:3:2:	3:4:3:	4:1:	C[5,6]-3:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:3:2:	4:3:2:	4:1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O-2:	C[5]-4:N[5,6]-3:N[6]-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH)	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a])	O(C[5]C[5,6a]C[5,6]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	O(C[5]C[5,6a]C[5,6]C[6a])(H)	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5,6]-3:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Os<6>,1|N<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	111.2840	0.177	2	111.2840	0.031	2	110.4943	1.886	3	110.4943	1.886	3	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5,6]-3:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH){3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	108.9150	0.000	1	108.9150	0.000	1	110.4943	1.886	3	110.4943	1.886	3	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:3:2:	4:3:4:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:4:2:	3:4:3:	4:1:	C[5,6]-3:C[5]-3:C-4:O-2:	N[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH){1|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.3300	0.000	1	108.3300	0.000	1	109.8045	4.348	2	109.8045	4.348	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:4:2:	3:4:3:	4:1:	C[5,6]-3:C[5]-3:C-4:O-2:	N[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH){2|C<3>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.2790	0.000	1	111.2790	0.000	1	109.8045	4.348	2	109.8045	4.348	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H){1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO){1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,6]C[5]H)(H)	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	113.3100	0.109	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	N[5,6]-3:N[6]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO){2|C<3>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.3100	0.109	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:4:2:1:	3:4:4:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:4:2:1:	4:4:3:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:4:2:2:	3:4:4:	4:1:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[5]C[5,6]C[5]O[5])(H)	113.3800	0.000	1	112.6700	1.008	2	112.6700	1.008	2	112.6700	1.008	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:4:2:2:	3:4:4:	4:1:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	O(C[5]C[5,6]C[5]O[5])(H)	111.9600	0.000	1	112.6700	1.008	2	112.6700	1.008	2	112.6700	1.008	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	3:4:3:2:	3:4:3:	4:1:	C[5,6]-3:C[5]-4:C-3:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O(C[5]C[5,6]2H)(H)	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:4:3:	4:4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	O(C[5]C[5,6]2H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O(C[5]C[5,6]2H)(CH3)	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:3:4:	4:1:	C[5,5]-4:C[5,6]-3:C[6a]-3:O-2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH)	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)	O(C[5]C[5,5]C[5,6]C[6a])(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH){1|Fe<10>,2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5,5]C[5,6]C[6a])(H)	111.6785	0.435	2	111.6785	0.189	2	111.6785	0.189	2	111.6785	0.189	2	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:2:	4:1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-2:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	O(C[5]C[3,5]C[5,6]C)(H)	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:3:	4:1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[3,5]C[5,6]C)(H)	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	111.9315	4.996	33	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	2:3:2:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H){2|C<3>}	O(C[5]C[5]O[5]H)(CH3)	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	2:3:2:2:	3:4:3:	4:4:	O[5]-2:C[5]-3:O-2:O-2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C-4:	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO)	O(C[5]C[5]O[5]O)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO){1|C<3>,1|C<4>}	O(C[5]C[5]O[5]O)(CH3)	112.1215	5.783	2	112.1215	33.448	2	112.1215	33.448	2	112.1215	33.448	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	2:3:4:2:	3:4:1:	4:1:	O[5]-2:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H)	O(C[5]C[5]O[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H){1|C<4>,1|O<2>}	O(C[5]C[5]O[5]C)(H)	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	111.2613	4.191	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	2:3:4:2:	3:4:1:	4:1:	S[5]-2:C[5]-3:C-4:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH)	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O)	O(C[5]C[5]S[5]C)(H)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH){3|C<4>}	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O){2|C<4>}	O(C[5]C[5]S[5]C)(H)	112.4430	0.068	2	112.4430	0.005	2	112.4430	0.005	2	111.2613	4.191	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	3:4:1:	4:1:	C[5]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O){1|H<1>,2|C<3>}	O(C[5]C[5]O[5]H)(H)	114.5850	0.000	1	114.5850	0.000	1	114.5850	0.000	1	114.5850	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H){1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H){2|O<2>,3|C<4>}	O(C[5]C[5]O[5]H)(CH3)	109.4660	0.337	2	109.4660	0.113	2	109.4660	0.113	2	109.4660	0.113	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	3:4:2:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[4,5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	O(C[4,5]C[5,6a]C[4,5]2)(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	O(C[4,5]C[5,6a]C[4,5]2)(C[5]C[5]O[5]H)	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]2)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]O[5]H)(CH3)	109.6770	0.000	1	109.6770	0.000	1	109.5850	0.017	2	109.5987	0.339	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(H){1|C<4>,1|O<2>}	O(C[5]C[5]O[5]H)(CH3)	109.4930	0.000	1	109.4930	0.000	1	109.5850	0.017	2	109.5987	0.339	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	110.3190	0.000	1	110.3190	0.000	1	109.6125	0.998	2	109.5987	0.339	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	108.9060	0.000	1	108.9060	0.000	1	109.6125	0.998	2	109.5987	0.339	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C-4:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	108.9440	0.000	1	108.9440	0.000	1	110.7187	13.009	3	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C-4:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS){1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	108.3430	0.000	1	108.3430	0.000	1	110.7187	13.009	3	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C-4:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	114.8690	0.000	1	114.8690	0.000	1	110.7187	13.009	3	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[6]-4:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	108.4780	0.000	1	108.4780	0.000	1	108.5411	1.993	8	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[6]-4:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	109.5767	1.212	3	109.5767	1.469	3	108.5411	1.993	8	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[6]-4:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	108.5900	0.219	2	108.5900	0.048	2	108.5411	1.993	8	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[6]-4:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	106.9705	1.675	2	106.9705	2.806	2	108.5411	1.993	8	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6]-4:	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-4:C-4:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-4:C[6]-4:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	108.0607	0.527	3	108.0607	0.278	3	108.0607	0.278	3	109.0409	3.716	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:4:	4:1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]O[5]H)(H)	109.1400	0.000	1	109.1400	0.000	1	110.6295	2.615	4	110.6295	2.615	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:4:	4:1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	O(C[5]C[5]O[5]H)(H)	110.8970	0.000	1	110.8970	0.000	1	110.6295	2.615	4	110.6295	2.615	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:4:	4:1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	O(C[5]C[5]O[5]H)(H)	111.2405	2.193	2	111.2405	4.808	2	110.6295	2.615	4	110.6295	2.615	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	110.1430	0.000	1	110.1430	0.000	1	110.5350	0.307	2	110.5350	0.307	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:1:	4:3:4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	110.9270	0.000	1	110.9270	0.000	1	110.5350	0.307	2	110.5350	0.307	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:2:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC)	C[5](C[5]O[5]CO)(C[5]C[5]H)(O)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CO)(C[5]C[5]H)(O){1|C<3>}	O(C[5]C[5]O[5]C)(CH3)	105.5180	0.000	1	105.5180	0.000	1	105.5180	0.000	1	105.5180	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:2:2:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(OC)2	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO)	O(C[5]C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OC)2{3|C<3>}	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO){2|C<3>}	O(C[5]C[5]O[5]O)(CH3)	112.3070	6.757	2	112.3070	45.659	2	112.3070	45.659	2	112.3070	45.659	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:3:2:	3:4:1:	4:1:	C[5]-3:O[5]-2:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O){1|H<1>,2|C<3>}	O(C[5]C[5]O[5]C)(H)	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	3:4:1:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	O(C[5]C[5]O[5]C)(H)	112.6845	2.242	2	112.6845	5.028	2	112.6845	5.028	2	112.6845	5.028	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	3:4:3:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C-3:C[5]-4:N[5]-3:	C[5]-4:C-4:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC)	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC){1|Zn<5>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn){1|C<3>}	O(C[5]C[5]O[5]C)(CH3)	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	3:4:4:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	O(C[5]C[5]O[5]C)(H)	108.5150	0.272	2	108.5150	0.074	2	108.5150	0.074	2	108.5150	0.074	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:2:1:	4:1:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:S[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH)	C[5](C[5]N[5]CO)(S[5]C[5])(O)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH){1|C<3>}	C[5](C[5]N[5]CO)(S[5]C[5])(O){1|C<3>}	O(C[5]C[5]N[5]C)(H)	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.5740	19.033	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:2:1:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH)	C[5](C[5]O[5]CO)(O[5]C[5])(O)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CO)(O[5]C[5])(O){1|C<3>,1|C<4>}	O(C[5]C[5]O[5]C)(H)	104.1430	0.000	1	104.1430	0.000	1	104.1430	0.000	1	108.5740	19.033	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:2:1:	4:1:	C[5]-3:S[5]-2:C-4:O-2:	C[5]-4:N[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH)	C[5](C[5]S[5]CO)(N[5]C[5])(O)	O(C[5]C[5]S[5]C)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH){1|C<3>}	C[5](C[5]S[5]CO)(N[5]C[5])(O){1|C<3>}	O(C[5]C[5]S[5]C)(H)	112.8650	0.000	1	112.8650	0.000	1	112.8650	0.000	1	108.5740	19.033	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:3:1:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(H){1|O<1>}	O(C[5]C[5]O[5]C)(H)	113.6640	0.000	1	113.6640	0.000	1	113.9625	0.178	2	112.2713	8.669	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:3:1:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]2)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	C[5](C[5]O[5]CO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]O[5]C)(H)	114.2610	0.000	1	114.2610	0.000	1	113.9625	0.178	2	112.2713	8.669	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:3:1:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]C)(O)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(O){1|C<4>}	O(C[5]C[5]O[5]C)(H)	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	112.2713	8.669	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	C[5](C[5]O[5]CO)(C[5]C[5]H)(H)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CO)(C[5]C[5]H)(H){1|C<3>}	O(C[5]C[5]O[5]C)(CH3)	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:3:4:	4:2:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:O-2:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	O(C[5]C[5]N[5]C)(OH)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	O(C[5]C[5]N[5]C)(OH)	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:4:1:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O){1|H<1>,1|O<2>,3|C<4>}	O(C[5]C[5]O[5]C)(H)	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:4:3:	4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	O(C[5]C[5]O[5]C)(H)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:4:3:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	O(C[5]C[5]O[5]C)(CH3)	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	111.7300	17.381	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:2:4:2:	4:4:3:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5]O[5]C)(CH3)	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	111.7300	17.381	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	3:4:1:	4:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H){1|H<1>,2|O<2>}	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,2|O<2>}	O(C[5]C[5]2H)(H)	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	3:4:1:	4:4:	C[5]-3:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H)	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(CH3)	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H){1|C<4>,2|N<3>}	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O){1|C<3>,2|N<3>}	O(C[5]C[5]2H)(CH3)	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	3:4:3:	4:4:	C[5]-3:N[5]-3:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl)	O(C[5]C[5]N[5]H)(CH3)	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>}	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]N[5]H)(CH3)	116.1780	0.000	1	116.1780	0.000	1	116.1780	0.000	1	115.9395	0.114	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	3:4:3:	4:4:	C[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl)	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(CH3)	115.7010	0.000	1	115.7010	0.000	1	115.7010	0.000	1	115.9395	0.114	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:2:3:	4:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	111.4690	0.000	1	111.4690	0.000	1	111.4690	0.000	1	111.1113	1.091	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	O(C[5]C[5]2H)(H)	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	111.1113	1.091	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	O(C[5]C[5]2H)(H)	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	111.1113	1.091	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:4:	C[5,6]-3:C[5]-3:O-2:I-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I)	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O)	O(C[5]C[5,6]C[5]I)(C[5]C[5,6a]2O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O){2|C<4>}	O(C[5]C[5,6]C[5]I)(C[5]C[5,6a]2O)	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	110.1797	11.660	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CCHH)	112.1510	0.059	2	112.1510	0.004	2	112.1510	0.004	2	110.1797	11.660	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:2:	4:1:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H)	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]H)(H)	110.7625	0.262	2	110.7625	0.069	2	110.7625	0.069	2	113.7190	5.642	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:2:	4:1:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:S-2:	C[5]-4:H-1:	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	C[5](C[5]N[5]HO)(C[5]C[5]Br)(SC[6a])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Br<1>,1|O<1>}	C[5](C[5]N[5]HO)(C[5]C[5]Br)(SC[6a]){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]H)(H)	114.5160	0.000	1	114.5160	0.000	1	115.1972	0.640	4	113.7190	5.642	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:2:	4:1:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:S-2:	C[5]-4:H-1:	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Cl<1>,1|O<1>}	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a]){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]H)(H)	115.4243	0.806	3	115.4243	0.650	3	115.1972	0.640	4	113.7190	5.642	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	114.7390	0.000	1	114.7390	0.000	1	113.6643	2.548	3	113.9285	1.891	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.1270	1.834	2	113.1270	3.364	2	113.6643	2.548	3	113.9285	1.891	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	114.0075	1.440	2	114.0075	2.075	2	114.0075	2.075	2	113.9285	1.891	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	113.9285	1.891	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN){2|H<1>}	O(C[5]C[5]2H)(H)	116.0580	0.000	1	116.0580	0.000	1	114.4635	5.085	2	113.9285	1.891	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN){1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	112.8690	0.000	1	112.8690	0.000	1	114.4635	5.085	2	113.9285	1.891	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2)	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	117.7070	0.000	1	117.7070	0.000	1	117.7070	0.000	1	117.7070	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:4:	4:4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CCHH)	112.4490	0.000	1	112.4490	0.000	1	114.2225	6.291	2	114.2225	6.291	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:3:4:	4:4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CH3)	115.9960	0.000	1	115.9960	0.000	1	114.2225	6.291	2	114.2225	6.291	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:4:3:	4:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.4300	0.000	1	112.4300	0.000	1	112.4300	0.000	1	111.6890	1.098	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:4:3:	4:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H){1|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	111.6890	1.098	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:1:	4:4:3:	4:4:	C[5]-3:C[5]-3:O-2:H-1:	P[4,5]-4:C[5]-4:C-3:	C[5]-4:C-4:	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H)	C[5](P[4,5]N[4]2N[5])(C[5]C[5]HO)(COO)	O(C[5]C[5]2H)(CH3)	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H){1|C<4>,2|N<3>}	C[5](P[4,5]N[4]2N[5])(C[5]C[5]HO)(COO){1|O<1>,1|P<3>,3|C<4>}	O(C[5]C[5]2H)(CH3)	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	3:4:1:	4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]C)(H)	109.9950	0.000	1	109.9950	0.000	1	109.9950	0.000	1	111.6985	3.724	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-2:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	O(C[5]C[5]2C)(H)	110.4770	0.000	1	110.4770	0.000	1	110.4770	0.000	1	111.6985	3.724	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	3:4:1:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O){5|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	113.1610	1.581	2	113.1610	2.500	2	113.1610	2.500	2	111.6985	3.724	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	3:4:1:	4:2:	C[5,6a]-3:C[5]-3:C-2:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O){4|C<3>}	O(C[5]C[5,6a]C[5]C)(OC)	100.8340	0.157	2	100.8340	0.025	2	100.8340	0.025	2	100.8340	0.025	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:2:4:	4:1:	C[5]-3:C[5]-3:C-2:O-2:	C[5]-4:N[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	O(C[5]C[5]2C)(H)	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	112.3862	4.436	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:1:	4:1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	112.7380	0.000	1	112.7380	0.000	1	113.4120	0.341	3	112.3862	4.436	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:1:	4:1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O){5|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	113.7490	0.000	2	113.7490	0.000	2	113.4120	0.341	3	112.3862	4.436	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:O-2:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]O)(CCHH)	108.4788	5.515	4	108.4788	30.416	4	108.4788	30.416	4	108.4788	30.416	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:2:	4:2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:O-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	O(C[5]C[6a]C[5]N[5])(OC[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(OC[5])	114.1930	0.974	4	114.1930	0.948	4	113.6782	1.365	6	113.6782	1.365	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:2:	4:2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:O-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	O(C[5]C[6a]C[5]N[5])(OH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(OH)	112.6485	0.896	2	112.6485	0.803	2	113.6782	1.365	6	113.6782	1.365	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:2:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[6,6]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5])	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	106.6400	1.294	2	106.6400	1.674	2	106.6400	1.674	2	106.6400	1.674	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[5,6]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH){6|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	110.8818	4.494	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	110.8818	4.494	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	108.6520	0.238	2	108.6520	0.056	2	108.6520	0.056	2	110.8818	4.494	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH){3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	110.8818	4.494	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:2:	4:4:3:	4:1:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6]C[5]O[5])(H)	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:3:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O-2:C-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:4:	3:4:1:	4:3:	C[5]-3:C[5]-3:O-2:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-3:	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(N[5]C[5]2)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	O(C[5]C[5]2C)(N[5]C[5]2)	109.9510	0.064	2	109.9510	0.004	2	109.9510	0.004	2	109.9510	0.004	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:2:4:	4:2:4:	4:3:	C[5]-3:C[5]-3:O-2:C-4:	C[5]-4:N[5]-2:C-4:	C[5]-4:N[5]-3:	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	O(C[5]C[5]2C)(N[5]C[5]2)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	O(C[5]C[5]2C)(N[5]C[5]2)	103.4390	0.351	2	103.4390	0.123	2	103.4390	0.123	2	103.4390	0.123	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:1:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	112.0890	0.000	1	112.0890	0.000	1	111.0445	2.182	2	109.4766	7.688	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:1:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.0000	0.000	1	110.0000	0.000	1	111.0445	2.182	2	109.4766	7.688	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(CCC)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCC)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	105.4940	2.459	2	105.4940	6.048	2	106.5073	6.105	3	109.4766	7.688	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(CCN)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCN)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	108.5340	0.000	1	108.5340	0.000	1	106.5073	6.105	3	109.4766	7.688	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-3:O-2:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	109.4766	7.688	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5]3)(H)	111.6425	2.295	2	111.6425	5.265	2	111.6425	5.265	2	109.4766	7.688	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O)	O(C[5]C[5]2N)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O){1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5]2N)(H)	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	109.4766	7.688	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:2:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]){1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	107.0030	0.000	1	107.0030	0.000	1	107.0030	0.000	1	108.7287	2.084	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:2:	4:1:	C[5]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:H-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a])	O(C[5]C[5]2N)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2N)(H)	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	108.7287	2.084	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:2:	4:1:	C[5]-3:N[5]-3:C-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5]){3|H<1>,4|C<3>}	O(C[5]C[5]N[5]C)(H)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	108.7287	2.084	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:2:	4:1:	C[5]-3:N[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:H-1:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a]){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	108.7287	2.084	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:3:	4:1:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.7900	1.004	2	108.7900	1.008	2	108.7900	1.008	2	108.7900	1.008	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	3:4:4:	4:1:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[5]-3:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2{9|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.7040	0.410	2	111.7040	0.168	2	111.7040	0.168	2	111.7040	0.168	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:2:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[5](C[5]C[5,6a]C[6a]O)(O[5]C[5,6a])(O)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(O[5]C[5,6a])(O){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:2:3:	4:1:	C[5,6]-3:C[5]-3:C-3:O-2:	C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH){1|O<1>,2|C<4>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H){1|C<3>,1|C<4>}	O(C[5]C[5,6]C[5]C)(H)	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	110.7995	12.757	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:2:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-2:N-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a])(NHH)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a])(NHH){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	110.7995	12.757	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:2:3:	4:1:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:S[5]-2:C-3:	C[5]-4:H-1:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	C[5](C[5]N[5,5a]C[6a]O)(S[5]C[5,5a])(CCH)	O(C[5]N[5,5a]C[6a]C[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]O)(S[5]C[5,5a])(CCH){2|C<3>,2|N<2>}	O(C[5]N[5,5a]C[6a]C[5])(H)	113.1175	0.455	2	113.1175	0.207	2	113.1175	0.207	2	110.7995	12.757	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	C[5](C[5]C[5,6]C[6a]O)(C[5]N[5,6]Os)(H)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]O)(C[5]N[5,6]Os)(H){1|N<2>,3|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	108.5915	0.063	2	108.5915	0.004	2	108.5915	0.004	2	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O){2|C<3>,2|C<4>}	O(C[5]C[5,6]C[6a]C[5])(H)	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	109.6290	1.146	2	109.6290	1.312	2	110.7163	2.231	6	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	111.0210	0.000	1	111.0210	0.000	1	110.7163	2.231	6	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	109.3470	0.000	1	109.3470	0.000	1	110.7163	2.231	6	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	112.3360	0.515	2	112.3360	0.265	2	110.7163	2.231	6	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	104.9370	0.000	1	104.9370	0.000	1	104.9370	0.000	1	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	103.9090	0.000	1	104.1920	0.160	2	104.1920	0.160	2	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	104.4750	0.000	1	104.1920	0.160	2	104.1920	0.160	2	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[5a]C[5])(H)	106.7918	4.792	4	107.5064	19.777	5	108.7822	12.109	10	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[5a]C[5])(H)	110.3650	0.000	1	107.5064	19.777	5	108.7822	12.109	10	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O)	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O){6|C<3>}	O(C[5]C[5,6a]C[5a]C[5])(H)	110.6770	0.000	1	110.6770	0.000	1	108.7822	12.109	10	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[5a]C[5])(H)	108.7710	0.000	1	108.7710	0.000	1	108.7822	12.109	10	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){4|C<3>}	O(C[5]C[5,6a]C[5a]C[5])(H)	107.5420	0.000	1	107.5420	0.000	1	108.7822	12.109	10	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5a]C[5])(H)	111.9310	0.000	1	111.9310	0.000	1	108.7822	12.109	10	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]C[5a]C[5])(H)	111.3690	0.000	1	111.3690	0.000	1	108.7822	12.109	10	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	111.1785	2.381	2	110.2957	5.172	3	109.8094	6.342	5	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	108.5300	0.000	1	110.2957	5.172	3	109.8094	6.342	5	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	106.5060	0.000	1	109.0800	13.251	2	109.8094	6.342	5	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	111.6540	0.000	1	109.0800	13.251	2	109.8094	6.342	5	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	112.2690	0.000	1	112.2690	0.000	1	112.6367	3.166	3	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	111.0700	0.000	1	111.0700	0.000	1	112.6367	3.166	3	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|O<1>,1|O<2>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	114.5710	0.000	1	114.5710	0.000	1	112.6367	3.166	3	109.2802	9.443	30	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:N-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO)	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]N)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]N)(OC)	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:4:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]P)(O)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC){1|C<3>,1|P<4>}	C[5](C[5]C[5]CO)(C[5]C[5]P)(O){2|C<3>}	O(C[5]C[5]2C)(CH3)	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	112.8333	5.914	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){1|C<4>,1|O<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(CH3)	115.9010	0.522	2	115.9010	0.272	2	115.9010	0.272	2	112.8333	5.914	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O){1|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(CH3)	111.2450	0.083	2	111.2450	0.007	2	111.2450	0.007	2	112.8333	5.914	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:1:	4:4:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:Br-1:	C[5]-4:C-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br)	O(C[5]C[6a]C[5]N[5])(CCHH)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br){1|O<1>,1|S<4>,2|C<3>}	O(C[5]C[6a]C[5]N[5])(CCHH)	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	112.8333	5.914	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:2:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:2:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:N-2:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS)	O(C[5]C[5,6a]C[6a]C[5])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(OC)	101.5720	0.000	1	101.5720	0.000	1	101.5720	0.000	1	101.5720	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:2:	4:4:	N[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:N-2:	C[5]-4:C-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC)	C[5](C[5]N[5,6]C[6a]O)(N[5]C[5,6]H)(NO)	O(C[5]N[5,6]C[6a]C[5])(CH3)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC){1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]N[5,6]C[6a]O)(N[5]C[5,6]H)(NO){1|N<2>,3|C<3>}	O(C[5]N[5,6]C[6a]C[5])(CH3)	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.3010	0.000	1	109.3440	1.832	2	109.3440	1.832	2	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.3870	0.000	1	109.3440	1.832	2	109.3440	1.832	2	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	O(C[5]C[5,6a]C[5]2)(H)	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[5a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2){2|O<1>,2|O<2>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	111.5380	1.602	2	111.5380	2.567	2	111.5380	2.567	2	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	107.3480	0.000	1	107.3480	0.000	1	109.0717	2.239	3	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	109.9335	0.145	2	109.9335	0.021	2	109.0717	2.239	3	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O){2|C<3>,2|O<1>,4|H<1>}	O(C[5]C[5]3)(H)	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	O(C[5]C[6a]C[5]2)(H)	110.5555	3.116	2	110.5555	9.711	2	110.5555	9.711	2	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	O(C[5]C[6a]C[5]2)(H)	110.3605	1.718	2	110.3605	2.950	2	110.3605	2.950	2	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]H)(CSS)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]C[5]H)(CSS){4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:1:	N[5,5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH)	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2)	O(C[5]N[5,5]C[6a]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	O(C[5]N[5,5]C[6a]C[5])(H)	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	110.7100	3.771	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC){1|C<3>,1|P<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO){1|O<1>,1|P<4>}	O(C[5]C[5]2C)(CH3)	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	113.7846	4.363	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	O(C[5]C[6a]C[5]2)(CH3)	111.7965	1.910	2	111.7965	3.648	2	111.7965	3.648	2	113.7846	4.363	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[5a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[5a]-3:C[5]-3:	C[5]-4:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	O(C[5]C[5a]C[5]N[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC){3|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	O(C[5]C[5a]C[5]N[5])(CH3)	114.9675	0.713	2	114.9675	0.509	2	114.9675	0.509	2	113.7846	4.363	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:4:	4:1:	C[5]-3:N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:3:4:	4:2:	C[6]-3:N[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:O-2:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO)	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3)	O(C[5]C[5]C[6]N[5])(OPt)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3){1|Pt<6>,1|C<3>,1|C<4>,1|N<3>}	O(C[5]C[5]C[6]N[5])(OPt)	108.2370	0.802	2	108.2370	0.643	2	108.2370	0.643	2	108.2370	0.643	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:4:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O){8|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	108.3525	2.931	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:4:1:	4:1:	C[5]-3:C[5]-3:C-3:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CO)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	108.3525	2.931	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:4:1:	4:4:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,2|H<1>}	O(C[5]C[5]2C)(CH3)	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	112.6885	1.467	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:4:1:	4:4:	N[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:Si-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(O)	O(C[5]C[5]N[5]C)(SiC3)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CO)(O){1|H<1>,2|C<3>}	O(C[5]C[5]N[5]C)(SiC3)	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	112.6885	1.467	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:4:3:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	O(C[5]C[5,6a]C[6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(OH)	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:3:2:	4:4:3:	4:4:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(CH3)	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH){1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O){1|C<4>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.3485	0.315	2	110.3485	0.099	2	110.3485	0.099	2	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	107.3937	2.794	4	107.3937	7.805	4	107.2338	5.734	6	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(CCHH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCHH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	106.9140	2.225	2	106.9140	4.949	2	107.2338	5.734	6	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	O(C[5]C[5]2C)(H)	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5]3)(H)	109.3680	2.186	2	109.3680	4.780	2	111.9043	10.180	4	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[5]C[5]3)(H)	114.4405	0.176	2	114.4405	0.031	2	111.9043	10.180	4	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]C)(H)	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH)	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]C)(H)	107.6965	0.245	2	107.6965	0.060	2	107.6965	0.060	2	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:1:	N[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]C)(H)	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	109.5865	9.055	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:1:	4:4:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC)	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]C)(CH3)	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:2:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	113.6300	0.000	1	113.6300	0.000	1	113.6300	0.000	1	113.0920	1.884	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:2:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	N[5a]-3:C[5]-4:N[5]-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH){1|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	112.8230	1.826	2	112.8230	3.333	2	112.8230	3.333	2	113.0920	1.884	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:3:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	N[5a]-3:C[5]-4:N[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	112.8497	2.716	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	3:4:3:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	113.7895	0.363	2	113.7895	0.132	2	113.7895	0.132	2	112.8497	2.716	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:2:3:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	O(C[5]C[5]2C)(H)	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:2:4:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	O(C[5]C[5]2C)(H)	114.1070	0.000	1	114.1070	0.000	1	112.0745	8.262	2	112.0745	8.262	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:2:4:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	O(C[5]C[5]2C)(H)	110.0420	0.000	1	110.0420	0.000	1	112.0745	8.262	2	112.0745	8.262	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:2:4:	4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:Si-4:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a])(SiC3)	O(C[5]C[5,6a]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a])(SiC3){2|C<3>}	O(C[5]C[5,6a]C[5]C)(OH)	111.8040	0.430	2	111.8040	0.185	2	111.8040	0.185	2	111.8040	0.185	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	102.8190	0.000	1	102.8190	0.000	1	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	106.7140	2.331	2	106.7140	5.432	2	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.1590	0.000	1	108.1590	0.000	1	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	105.1990	0.000	1	105.1990	0.000	1	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.0128	2.480	10	108.2095	5.962	11	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.1770	0.000	1	108.2095	5.962	11	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	109.7620	0.000	1	108.4723	2.776	15	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.3802	1.689	14	108.4723	2.776	15	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	113.3980	0.000	1	113.3980	0.000	1	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	111.4250	0.242	2	111.4250	0.058	2	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH){2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	103.8050	0.000	1	103.8050	0.000	1	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	109.4062	2.560	12	109.4062	6.551	12	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	109.7580	0.000	1	109.7580	0.000	1	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.8530	1.500	2	108.8530	2.251	2	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.2680	1.476	2	110.2680	2.180	2	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	111.0845	0.561	4	111.0845	0.314	4	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.9893	1.077	3	108.9893	1.159	3	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.4034	2.296	5	110.4034	5.270	5	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	111.8730	0.000	1	111.8730	0.000	1	108.9710	5.922	65	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	O(C[5]C[5]2C)(H)	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){2|C<3>}	O(C[5]C[5]2C)(H)	109.3450	0.075	2	109.3450	0.006	2	109.1050	0.176	3	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(N[5]N[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	C[5](C[5]C[5]CO)(N[5]N[5]C)(O){1|C<4>}	O(C[5]C[5]2C)(H)	108.6250	0.000	1	108.6250	0.000	1	109.1050	0.176	3	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]H)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C[5](C[5]N[5]CO)(C[5]C[5]H)(H){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	112.8910	0.000	1	112.8910	0.000	1	113.8905	1.998	2	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(H){1|H<1>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	114.8900	0.000	1	114.8900	0.000	1	113.8905	1.998	2	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH){2|C<3>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	O(C[5]C[5]N[5]C)(H)	112.3380	0.014	2	112.3380	0.000	2	112.3380	0.000	2	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH)	C[5](C[5]N[5]CO)(N[5]C[5]C)(O)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|S<1>}	C[5](C[5]N[5]CO)(N[5]C[5]C)(O){1|C<4>,1|S<1>}	O(C[5]C[5]N[5]C)(H)	110.5510	0.846	2	110.5510	0.715	2	110.5510	0.715	2	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:1:	N[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH){4|C<3>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){2|C<3>}	O(C[5]C[5]N[5]C)(H)	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	109.3169	6.541	76	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(OC)	112.4890	0.000	1	112.4890	0.000	1	110.9313	0.856	8	110.9313	0.856	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(OC)	110.7060	0.000	1	110.7060	0.000	1	110.9313	0.856	8	110.9313	0.856	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(OC)	110.3730	0.000	1	110.3730	0.000	1	110.9313	0.856	8	110.9313	0.856	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(OC)	110.6345	0.945	4	110.6345	0.893	4	110.9313	0.856	8	110.9313	0.856	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(OC)	111.3440	0.000	1	111.3440	0.000	1	110.9313	0.856	8	110.9313	0.856	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|Br<1>,1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CCHH)	106.5395	0.059	2	108.5665	6.917	4	109.5457	5.093	8	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CCHH)	110.5935	2.077	2	108.5665	6.917	4	109.5457	5.093	8	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	108.4170	0.000	1	108.4170	0.000	1	109.5457	5.093	8	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CCCH)	110.2970	0.000	1	110.2970	0.000	1	109.5457	5.093	8	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CCHH)	111.7130	0.000	1	111.7130	0.000	1	109.5457	5.093	8	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CH3)	111.6730	0.000	1	111.6730	0.000	1	109.5457	5.093	8	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	O(C[5]C[5,6a]C[5]C)(SiC3)	109.2355	2.521	2	109.2355	6.355	2	109.2355	6.355	2	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:	4:4:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC){1|C<3>,1|C<4>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<4>,1|H<1>}	O(C[5]C[5]N[5]C)(CCHH)	112.9730	0.071	2	112.9730	0.005	2	112.9730	0.005	2	110.0652	5.678	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:2:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	111.6225	10.458	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:2:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:N-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	113.2230	0.000	1	113.2230	0.000	1	112.4240	1.277	2	111.6225	10.458	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:2:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:N-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a]){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	111.6250	0.000	1	111.6250	0.000	1	112.4240	1.277	2	111.6225	10.458	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:2:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH){1|H<1>,1|O<1>}	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC){1|O<1>,1|O<2>}	O(C[5]C[5]N[5]C)(H)	114.5310	0.000	1	114.5310	0.000	1	114.5310	0.000	1	111.6225	10.458	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	113.2495	0.756	2	113.2495	0.571	2	113.4410	0.396	3	112.3747	1.815	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	113.8240	0.000	1	113.8240	0.000	1	113.4410	0.396	3	112.3747	1.815	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	112.8615	1.908	2	112.8615	3.642	2	112.8615	3.642	2	112.3747	1.815	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.7420	0.673	2	110.7420	0.453	2	111.1217	0.659	3	112.3747	1.815	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.8810	0.000	1	111.8810	0.000	1	111.1217	0.659	3	112.3747	1.815	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	111.9610	0.000	1	111.9610	0.000	1	111.9610	0.000	1	112.3747	1.815	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:4:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	O(C[5]C[5]2C[6])(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	O(C[5]C[5]2C[6])(CH3)	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	111.2040	9.168	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:3:	4:4:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH)	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC){1|C<2>,1|C<3>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH){1|C<3>,1|C<4>}	O(C[5]C[5]N[5]C)(CH3)	113.3450	0.000	1	113.3450	0.000	1	113.3450	0.000	1	111.2040	9.168	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:4:	4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH)	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH){1|O<1>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:4:	4:4:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[5]-4:C[5]-3:C[6]-4:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	O(C[5]C[5]2C[6])(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	O(C[5]C[5]2C[6])(CH3)	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:3:4:2:	4:4:3:	4:1:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	O(C[5]C[5,6a]C[5]2)(H)	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	3:3:4:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO){2|H<1>,7|C<3>}	O(C[5]C[5]2H)(CH3)	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:3:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H)	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	O(C[5]C[5]2H)(CCHH)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:	4:1:	C[5]-3:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HO)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:3:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5]2H)(CH3)	106.1895	0.272	2	106.1895	0.074	2	106.1895	0.074	2	106.1895	0.074	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){2|C<4>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	104.9230	0.000	1	104.9230	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	112.2600	0.000	1	112.2600	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	108.9390	3.908	3	109.5456	8.372	5	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	110.7640	0.000	1	109.5456	8.372	5	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	110.1470	0.000	1	109.5456	8.372	5	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	107.8880	0.000	1	107.8880	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	110.5965	1.190	2	110.5965	1.416	2	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	105.8860	0.000	1	105.8860	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.7450	0.000	1	111.5035	0.117	2	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|F<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]C[5]2)(H)	111.2620	0.000	1	111.5035	0.117	2	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	105.7730	0.000	1	105.7730	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.0420	0.000	1	111.0420	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	109.4390	0.000	1	109.4390	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	107.2230	0.000	1	107.2230	0.000	1	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	109.6965	0.169	2	109.6965	0.029	2	109.2503	6.115	19	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	111.2375	0.250	2	111.2375	0.062	2	110.2030	1.594	6	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	111.3950	0.000	1	111.3950	0.000	1	110.2030	1.594	6	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	108.7530	0.098	2	108.7530	0.010	2	110.2030	1.594	6	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	109.8420	0.000	1	109.8420	0.000	1	110.2030	1.594	6	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|H<1>,2|C<4>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	110.9350	0.000	1	110.9350	0.000	1	110.6450	2.639	3	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	112.1050	0.000	1	112.1050	0.000	1	110.6450	2.639	3	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.8950	0.000	1	108.8950	0.000	1	110.6450	2.639	3	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[6a]C[5])(O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[6a]C[5])(O){3|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	109.5793	4.699	29	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	110.6500	0.000	1	110.6500	0.000	1	110.9190	0.145	2	110.9190	0.145	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	111.1880	0.000	1	111.1880	0.000	1	110.9190	0.145	2	110.9190	0.145	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO){2|C<2>,2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.8570	0.000	1	109.8570	0.000	1	109.0847	3.909	3	110.4303	3.906	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]C)(COO)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	110.5590	0.000	1	110.5590	0.000	1	109.0847	3.909	3	110.4303	3.906	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CC[6a]C)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CC[6a]C){2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	106.8380	0.000	1	106.8380	0.000	1	109.0847	3.909	3	110.4303	3.906	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:N-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS){2|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.0840	0.528	2	112.0840	0.278	2	112.0840	0.278	2	110.4303	3.906	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CHH)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CHH){1|C<4>,2|F<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	110.4303	3.906	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:	4:4:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	O(C[5]C[5,5]C[5]2)(CCHH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O(C[5]C[5,5]C[5]2)(CCHH)	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:3:	4:1:	C[5]-3:C[5]-4:C-3:O-2:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH){1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H){1|O<2>,4|H<1>,5|C<4>}	O(C[5]C[5]2C)(H)	115.0250	0.000	1	115.0250	0.000	1	115.0250	0.000	1	111.8680	8.361	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:3:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.2310	0.000	1	111.2310	0.000	1	110.2895	1.773	2	111.8680	8.361	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:3:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.3480	0.000	1	109.3480	0.000	1	110.2895	1.773	2	111.8680	8.361	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:4:2:	3:3:4:	4:4:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	O(C[5]C[5]2C)(CH3)	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:4:2:	3:4:3:	4:4:	C[5]-3:C[5]-4:C-4:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5]2C)(CH3)	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:	4:1:	C[5]-3:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH){1|C<4>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O){1|H<1>,5|C<4>}	O(C[5]C[5]2C)(H)	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:	4:4:	C[5]-3:C[5]-4:C-4:O-2:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|C<4>,3|H<1>}	O(C[5]C[5]2C)(CH3)	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	O(C[5]C[5]2H)(CCHH)	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	O(C[5]C[5]2H)(CCHH)	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H){1|O<2>,3|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(O){3|O<2>,4|C<4>}	O(C[5]C[5,5]C[5]H)(H)	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HO)(O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H){1|N<3>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HO)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.0470	2.549	5	111.0470	6.498	5	111.0470	6.498	5	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H)	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H){2|H<1>,4|C<4>}	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	113.7275	0.333	2	113.7275	0.111	2	113.7275	0.111	2	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H){2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)(O){3|H<1>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O){1|N<3>,2|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	111.7760	0.000	1	111.7760	0.000	1	112.4595	0.934	2	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	113.1430	0.000	1	113.1430	0.000	1	112.4595	0.934	2	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(O){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	117.0480	0.000	1	117.0480	0.000	1	114.3225	14.857	2	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.5970	0.000	1	111.5970	0.000	1	114.3225	14.857	2	111.7968	6.042	15	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:4:	C[5,6]-4:C[5]-3:O-2:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]HO)(O)	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]HO)(O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6]C[5]H)(CH3)	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	112.1960	0.551	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:1:	4:4:	C[5,6]-4:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HO)(O)	O(C[5]C[5,6]C[5]H)(SiC[6a]3)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HO)(O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(SiC[6a]3)	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.1960	0.551	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:2:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C-3:C[5]-4:N[5]-2:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H)	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5])	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CH3)	110.0565	3.415	4	110.0565	11.665	4	110.0565	11.665	4	110.0565	11.665	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:3:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	110.5065	2.145	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6,6]C[5]H)(H)	111.5420	0.000	1	111.5420	0.000	1	111.5420	0.000	1	110.5065	2.145	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:3:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-3:C[5]-4:N-3:	C[5]-4:C-4:	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H){1|C<4>,1|N<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO){1|O<2>,4|C<4>}	O(C[5]C[5]2H)(CH3)	115.7120	0.095	2	115.7120	0.009	2	115.7120	0.009	2	112.7170	26.915	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:3:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS)	O(C[5]C[5]2H)(C[6]C[6]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS){2|C<3>,4|H<1>}	O(C[5]C[5]2H)(C[6]C[6]2H)	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	112.7170	26.915	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[3x5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H)	C[5](C[5]C[3x5]HO)(O[5]C[5,5])(O)	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[3x5]HO)(O[5]C[5,5])(O){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3x5]C[5]H)(H)	114.7685	0.132	2	114.7685	0.017	2	112.0780	21.725	3	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[3x5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H)	C[5](C[5]C[3x5]HO)(O[5]C[5,5])(O)	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[3x5]HO)(O[5]C[5,5])(O){1|H<1>,3|C<4>}	O(C[5]C[3x5]C[5]H)(H)	106.6970	0.000	1	106.6970	0.000	1	112.0780	21.725	3	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(O)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(O){1|C<3>,3|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	112.6790	0.000	1	112.6790	0.000	1	108.9685	27.536	2	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(O)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(O){1|O<2>,3|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	105.2580	0.000	1	105.2580	0.000	1	108.9685	27.536	2	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.3870	0.000	1	108.3870	0.000	1	110.9387	5.378	7	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.1527	1.946	3	110.1527	3.786	3	110.9387	5.378	7	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5])(O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	112.1935	2.724	2	112.5753	4.149	3	110.9387	5.378	7	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5])(O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	113.3390	0.000	1	112.5753	4.149	3	110.9387	5.378	7	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H){5|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(O){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.6245	2.094	2	109.6245	4.384	2	109.4363	2.298	3	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(O){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.0600	0.000	1	109.0600	0.000	1	109.4363	2.298	3	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(N[5]N[5,6])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(N[5]N[5,6])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.3680	0.000	1	111.0146	1.253	8	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(O){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	108.2830	0.000	1	111.0146	1.253	8	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.4110	0.220	6	111.0146	1.253	8	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	108.9800	0.000	1	108.9800	0.000	1	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	110.6265	3.454	4	110.6265	11.930	4	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.8310	0.000	1	111.8310	0.000	1	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.9162	2.983	4	110.9162	8.900	4	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.9380	0.690	2	112.9380	0.476	2	111.0487	4.451	20	110.7631	6.348	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	110.1214	3.566	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	107.6530	1.330	3	107.6530	1.770	3	107.6530	1.770	3	110.1214	3.566	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){4|H<1>}	O(C[5]C[5]2H)(CCCH)	110.4690	0.964	2	110.4690	0.930	2	111.0757	1.569	3	110.1214	3.566	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(CC[6a]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]2H)	112.2890	0.000	1	112.2890	0.000	1	111.0757	1.569	3	110.1214	3.566	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:S-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(SC[6a]OO)	110.1790	0.000	1	110.1790	0.000	1	110.1443	0.378	3	110.1214	3.566	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:S-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(SCOO)	110.1270	0.868	2	110.1270	0.754	2	110.1443	0.378	3	110.1214	3.566	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[6]-4:C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	112.4330	0.266	2	112.4330	0.071	2	112.4330	0.071	2	110.1214	3.566	12	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:3:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5])(CHH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5])(CHH){1|O<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:3:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5])(CC[5a]H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H){1|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	O(C[5]C[5]2H)(CH3)	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:4:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(SiC[6a]2C)	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[4,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[4,5]HO)(C[5]C[4,5]H)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[4,5]HO)(C[5]C[4,5]H)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[4,5]C[5]H)(H)	114.7945	0.115	2	114.7945	0.013	2	114.7945	0.013	2	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H){4|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H){1|H<1>,3|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	108.3720	0.000	1	108.3720	0.000	1	111.1263	8.839	3	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(H){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.7290	0.000	1	110.7290	0.000	1	111.1263	8.839	3	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H){1|C<3>,4|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	114.2780	0.000	1	114.2780	0.000	1	111.1263	8.839	3	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	107.5990	0.478	2	107.5990	0.228	2	107.5990	0.228	2	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.3830	0.000	1	111.3830	0.000	1	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	109.3760	0.000	1	109.3760	0.000	1	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	111.9330	1.632	2	112.7690	1.822	4	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	113.6050	0.086	2	112.7690	1.822	4	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){4|H<1>}	O(C[5]C[5]2H)(H)	111.7950	0.000	1	111.7950	0.000	1	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|N<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.5070	0.000	1	112.5070	0.000	1	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	111.7900	0.000	1	111.7900	0.000	1	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.9020	0.683	2	109.9020	0.467	2	111.6119	2.305	11	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(O){1|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	114.1235	0.545	2	114.1235	0.297	2	114.0587	0.161	3	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	113.9290	0.000	1	113.9290	0.000	1	114.0587	0.161	3	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.8350	0.000	1	112.8350	0.000	1	112.0768	5.342	14	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	113.8360	0.433	4	113.8360	0.187	4	112.0768	5.342	14	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	113.6650	0.000	1	113.6650	0.000	1	112.0768	5.342	14	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	108.4140	0.000	1	110.9039	6.057	8	112.0768	5.342	14	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.2596	2.426	7	110.9039	6.057	8	112.0768	5.342	14	111.9515	5.228	36	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:N[6]-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(N[6]C[6]2)	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(N[6]C[6]2)	109.1330	1.184	3	109.1330	1.402	3	109.1330	1.402	3	109.1330	1.402	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]H)(H)	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]H)(H){2|C<3>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC3)	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	108.5378	2.712	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	106.3860	0.000	1	106.3860	0.000	1	108.2257	8.021	3	108.5378	2.712	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|N<3>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[5]2H)(CH3)	109.1455	3.311	2	109.1455	10.965	2	108.2257	8.021	3	108.5378	2.712	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(SCOO)	108.8315	0.865	4	108.8315	0.749	4	108.8315	0.749	4	108.5378	2.712	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	112.2710	1.508	3	112.2710	2.274	3	112.2710	2.274	3	112.6518	3.730	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	115.9380	0.000	1	115.9380	0.000	1	113.4915	11.971	2	112.6518	3.730	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH)	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH){2|H<1>}	O(C[5]C[5]2H)(H)	111.0450	0.000	1	111.0450	0.000	1	113.4915	11.971	2	112.6518	3.730	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NCH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(NCH){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.6518	3.730	6	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CRuO)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CRuO){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CH3)	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:Si-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	111.8804	3.221	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	111.7835	3.853	2	111.7835	14.846	2	111.9480	7.504	3	111.8804	3.221	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	112.2770	0.000	1	112.2770	0.000	1	111.9480	7.504	3	111.8804	3.221	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	112.6790	0.093	2	112.6790	0.009	2	112.3917	0.252	3	111.8804	3.221	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){3|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.8170	0.000	1	111.8170	0.000	1	112.3917	0.252	3	111.8804	3.221	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){1|C<2>,1|C<3>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCCH)	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[3x5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,6]HO)(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,6]HO)(O){1|O<2>,3|C<3>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	112.7737	15.188	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O){2|C<3>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	113.8510	0.000	1	113.8510	0.000	1	113.8510	0.000	1	112.7737	15.188	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(O){4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.5420	0.000	1	112.5420	0.000	1	114.7440	3.903	3	112.7737	15.188	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(O){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	115.8450	0.730	2	115.8450	0.533	2	114.7440	3.903	3	112.7737	15.188	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]2C)(C[5]C[5]HO)(O){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	115.8750	0.000	1	115.8750	0.000	1	110.6840	53.893	2	112.7737	15.188	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(O){2|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	105.4930	0.000	1	105.4930	0.000	1	110.6840	53.893	2	112.7737	15.188	7	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	O(C[5]C[5,3x6]C[5]H)(H)	109.7367	0.667	3	109.7548	0.298	4	109.7548	0.298	4	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,3x6]C[5]H)(H)	109.8090	0.000	1	109.7548	0.298	4	109.7548	0.298	4	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO)	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO){1|S<2>,2|C<3>}	O(C[5]C[5,3x6]C[5]H)(H)	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.8620	0.000	1	114.8620	0.000	1	114.8620	0.000	1	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	114.1546	1.772	5	114.1158	2.520	6	114.1158	2.520	6	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){3|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	113.9220	0.000	1	114.1158	2.520	6	114.1158	2.520	6	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH){1|C<4>,2|O<2>,3|C<3>}	O(C[5]C[5,6]C[5]H)(H)	113.2010	0.290	2	113.2010	0.084	2	113.2010	0.084	2	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	115.0850	1.588	2	115.0850	2.522	2	114.0240	2.415	4	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.9630	0.468	2	112.9630	0.219	2	114.0240	2.415	4	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)(H)	111.5235	0.752	2	111.5235	0.565	2	111.5235	0.565	2	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	111.0075	1.380	2	111.0075	1.903	2	111.0075	1.903	2	112.4389	5.022	23	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:4:	C[3,5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-4:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH)	O(C[5]C[3,5,5]C[5]H)(CH3)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H){4|C<4>,4|H<1>}	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH){1|H<1>,3|C<4>}	O(C[5]C[3,5,5]C[5]H)(CH3)	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	111.4010	0.160	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH)	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH){3|C<4>,4|H<1>}	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.4010	0.160	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CH3)	111.8470	0.000	1	111.8470	0.000	1	111.8470	0.000	1	111.4010	0.160	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	3:4:1:	4:1:	C[6]-4:C[5]-3:O[5]-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O)	O(C[5]C[5]C[6]O[5])(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH){2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5]C[6]O[5])(H)	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	3:4:1:	4:4:	C[5,5]-4:C[5]-3:O-2:O-2:	C[5]-3:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O)	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2{1|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O){1|O<2>,4|C<3>}	O(C[5]C[5,5]C[5]O)(CH3)	113.0260	0.079	2	113.0260	0.006	2	113.0260	0.006	2	110.1979	3.648	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	3:4:1:	4:4:	C[5]-4:C[5]-3:O-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5]2O)(CH3)	108.6930	1.271	2	108.6930	1.616	2	109.2552	0.840	6	110.1979	3.648	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	3:4:1:	4:4:	C[5]-4:C[5]-3:O-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O)	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O){1|O<2>,4|C<3>}	O(C[5]C[5]2O)(CH3)	109.5362	0.738	4	109.5362	0.545	4	109.2552	0.840	6	110.1979	3.648	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH){2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:3:1:	4:4:	C[4,5]-4:C[5]-3:O-2:O-2:	C[5]-4:C[5]-3:Cl-1:	C[5]-4:C-4:	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl)	O(C[5]C[4,5]C[5]O)(CH3)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[4,5]C[5]O)(CH3)	110.6225	3.818	2	110.6225	14.575	2	110.6225	14.575	2	112.6885	10.613	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	O(C[5]C[5]2O[5])(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]2O[5])(CH3)	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	112.6885	10.613	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6])	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	O(C[5]C[5]2O[5])(C[6]C[6]2H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]2O[5])(C[6]C[6]2H)	114.4450	0.000	1	114.4450	0.000	1	114.4450	0.000	1	112.6885	10.613	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:1:	4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O)	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O){1|O<2>,2|H<1>,5|C<4>}	O(C[5]C[3]C[5]O[5])(H)	110.1720	2.827	4	110.1720	7.994	4	110.1720	7.994	4	108.9694	4.772	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:1:	4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O)	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O){1|H<1>,4|C<4>}	O(C[5]C[3]C[5]O[5])(H)	107.3580	0.385	3	107.3580	0.148	3	107.3580	0.148	3	108.9694	4.772	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	108.9815	0.568	2	108.9815	0.322	2	108.9815	0.322	2	108.9694	4.772	9	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:1:	4:4:	C[5,6]-4:C[5]-3:O-2:O-2:	C[5,6,6]-4:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O)	O(C[5]C[5,6]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2{3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O){1|O<2>,3|H<1>,6|C<4>}	O(C[5]C[5,6]C[5]O)(CH3)	108.2620	1.057	4	108.2620	1.117	4	108.2620	1.117	4	108.2620	1.117	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:3:	4:1:	C[5,5]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H){1|H<1>,1|N<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:3:	3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:C-3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:N[6]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(N[6]C[6]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	O(C[5]C[5]2C)(N[6]C[6]2)	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H){1|S<2>,5|C<3>}	O(C[5]C[5,5]C[5]C)(H)	111.3705	0.783	2	111.3705	0.613	2	111.3705	0.613	2	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:C-3:O-2:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O){2|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.8557	0.086	3	110.8557	0.007	3	110.8557	0.007	3	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a]O)(O)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a]O)(O){3|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH){1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O){1|H<1>,3|C<3>}	O(C[5]C[5]2C)(H)	111.0620	0.000	1	111.0620	0.000	1	111.0620	0.000	1	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	111.6150	0.000	1	111.6150	0.000	1	111.5595	0.006	2	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O){2|O<2>,3|C<3>}	O(C[5]C[5]2C)(H)	111.5040	0.000	1	111.5040	0.000	1	111.5595	0.006	2	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(C[5]C[5]3)(H)	105.4400	0.365	4	105.4400	0.133	4	106.9380	4.012	8	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5]3)(H)	108.5145	2.446	2	108.5145	5.982	2	106.9380	4.012	8	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH){1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	O(C[5]C[5]3)(H)	108.3575	1.931	2	108.3575	3.729	2	106.9380	4.012	8	109.1003	6.375	17	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:	4:4:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC){1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2C)(CH3)	111.5615	3.625	4	111.5615	13.141	4	111.5615	13.141	4	111.5615	13.141	4	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:2:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN){2|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	109.5520	6.245	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:2:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5,5a]-3:C[5]-4:N-2:	C[5]-4:H-1:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS){1|N<3>,2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	109.5520	6.245	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:2:	4:4:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5]2C)(CH3)	99.7993	0.000	1	99.7993	0.000	1	99.7993	0.000	1	99.7993	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[5](C[5]C[3,5]C[6a]O)(O[5]C[4,5])(O)	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[3,5]C[6a]O)(O[5]C[4,5])(O){2|C<3>,4|C<4>}	O(C[5]C[3,5]C[6a]C[5])(H)	105.9970	0.000	1	105.9970	0.000	1	105.9970	0.000	1	108.2971	5.310	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(O)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	108.2971	5.310	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	110.1395	0.120	2	110.1395	0.014	2	110.1395	0.014	2	108.2971	5.310	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	106.6270	0.000	1	106.6270	0.000	1	108.2120	6.977	6	108.2971	5.310	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	108.7020	0.000	1	108.7020	0.000	1	108.2120	6.977	6	108.2971	5.310	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH){2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	110.1103	0.284	3	110.1103	0.081	3	108.2120	6.977	6	108.2971	5.310	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH){1|C<3>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	103.6120	0.000	1	103.6120	0.000	1	108.2120	6.977	6	108.2971	5.310	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6]C[6a]O)(N[5]C[6a]C[5])(O)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]O)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,6|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	108.8663	11.500	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	111.0750	0.000	1	111.0750	0.000	1	111.6575	0.679	2	108.8663	11.500	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[5]C[5]2C)(H)	112.2400	0.000	1	112.2400	0.000	1	111.6575	0.679	2	108.8663	11.500	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH){1|C<3>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	113.4650	0.000	1	113.4650	0.000	1	113.4650	0.000	1	108.8663	11.500	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	109.9070	0.000	1	109.9070	0.000	1	107.6057	6.668	3	108.8663	11.500	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]H)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH){1|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]H)(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	106.4550	2.322	2	106.4550	5.392	2	107.6057	6.668	3	108.8663	11.500	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|O<2>,6|C<3>}	O(C[5]C[6a]C[5]2)(H)	104.1650	0.000	1	104.1650	0.000	1	104.1650	0.000	1	108.8663	11.500	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:2:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-2:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC){1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:2:	4:4:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC)	O(C[5]C[5]2C)(CCCH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC){1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2C)(CCCH)	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,2|S<2>,4|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	111.9410	5.611	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]C)(CCO)	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH){1|C<4>}	C[5](C[5]C[5]CO)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	O(C[5]C[5]2C)(H)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	111.9410	5.611	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	O(C[5]C[6a]C[5]2)(H)	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	111.9410	5.611	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:4:	4:4:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:P-4:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC)	C[5](C[5]C[5,5]CO)(C[5]C[5]O)(PC[6a]3)	O(C[5]C[5,5]C[5]C)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC){1|N<3>,2|C<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]O)(PC[6a]3){2|C<2>,2|C<3>}	O(C[5]C[5,5]C[5]C)(CH3)	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(O)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	113.2560	0.704	2	113.2560	0.496	2	113.2560	0.496	2	107.1709	15.028	11	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6,6]C[6a])(C[5]C[5,6]C[6a]O)(O)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C[6a])(C[5]C[5,6]C[6a]O)(O){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	104.2090	0.908	2	104.2090	0.824	2	103.7860	0.949	3	107.1709	15.028	11	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a]O)(O)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a]O)(O){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	102.9400	0.000	1	102.9400	0.000	1	103.7860	0.949	3	107.1709	15.028	11	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<4>,5|H<1>}	O(C[5]C[5]2C)(H)	107.1845	0.111	2	107.1845	0.012	2	107.1845	0.012	2	107.1709	15.028	11	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){1|C<3>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	106.7890	0.000	1	109.2295	11.912	2	109.2295	11.912	2	107.1709	15.028	11	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	111.6700	0.000	1	109.2295	11.912	2	109.2295	11.912	2	107.1709	15.028	11	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O){2|C<3>,3|H<1>,4|C<4>}	O(C[5]C[6a]C[5]2)(H)	104.0910	0.291	2	104.0910	0.085	2	104.0910	0.085	2	107.1709	15.028	11	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:3:	4:4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C[5](C[5]C[6a]C[5]O)(C[6]C[6]2Cr)(C[5]C[5]Si)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6]C[6]2Cr)(C[5]C[5]Si){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(CH3)	113.0010	0.000	1	113.0010	0.000	1	113.0010	0.000	1	113.0010	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O){3|O<2>,4|C<4>}	O(C[5]C[5,5]C[5]C)(H)	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	108.9299	4.916	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5]2C)(H)	111.4250	0.000	1	111.4250	0.000	1	109.9473	2.048	3	108.9299	4.916	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	109.2085	0.906	2	109.2085	0.820	2	109.9473	2.048	3	108.9299	4.916	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH)	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]2C)(H)	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	108.9299	4.916	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	108.9299	4.916	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	C[5](N[5]C[5,6]H)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	C[5](N[5]C[5,6]H)(C[5]C[5]CO)(O){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	107.8520	0.000	1	107.8520	0.000	1	105.9850	6.971	2	108.9299	4.916	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(O){3|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	104.1180	0.000	1	104.1180	0.000	1	105.9850	6.971	2	108.9299	4.916	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	O(C[5]C[5]2C)(H)	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.2680	0.000	1	106.2680	0.000	1	104.6310	3.619	4	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	101.8860	0.000	1	101.8860	0.000	1	104.6310	3.619	4	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	105.3060	0.000	1	105.3060	0.000	1	104.6310	3.619	4	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	105.0640	0.000	1	105.0640	0.000	1	104.6310	3.619	4	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5,5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH){2|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5,5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	104.9140	0.000	1	104.9140	0.000	1	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5,5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(O[5]C[5,5])(O){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2C)(H)	111.2520	0.735	2	111.2520	0.541	2	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	107.9353	4.000	3	107.3503	12.038	4	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){2|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,3|C<4>}	O(C[5]C[5]2C)(H)	105.5950	0.000	1	107.3503	12.038	4	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH){2|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,3|C<4>}	O(C[5]C[5]2C)(H)	104.7410	0.120	2	104.7410	0.014	2	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	109.2920	2.086	3	109.2920	4.350	3	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	105.0800	0.000	1	105.0800	0.000	1	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	107.0120	0.000	1	107.0120	0.000	1	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	108.1190	3.292	3	108.1190	10.840	3	107.6839	8.344	17	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:1:	P[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]P[5]CO)(O[5]C[5])(O)	O(C[5]C[5]P[5]C)(H)	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH){1|C<3>,1|C<4>}	C[5](C[5]P[5]CO)(O[5]C[5])(O){1|C<3>,1|C<4>,2|O<1>}	O(C[5]C[5]P[5]C)(H)	111.4080	0.000	1	111.4080	0.000	1	111.4080	0.000	1	107.2981	9.154	22	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:4:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(CH3)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	110.3120	0.858	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi){2|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,3|C<4>}	O(C[5]C[5]2C)(SiC3)	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.3120	0.858	2	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:3:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CCH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CCH){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6]C[5]C)(H)	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H){1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	107.7060	0.000	1	107.7060	0.000	1	111.0953	8.616	3	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	112.7900	0.000	2	112.7900	0.000	2	111.0953	8.616	3	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	112.7015	2.508	2	112.7015	6.291	2	108.6834	21.341	5	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	101.9090	0.000	1	101.9090	0.000	1	108.6834	21.341	5	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	108.0525	0.310	2	108.0525	0.096	2	108.6834	21.341	5	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	109.6640	1.499	2	109.6640	2.247	2	107.7463	5.659	16	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	109.1160	0.950	2	109.1160	0.903	2	107.7463	5.659	16	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	106.4480	1.921	10	106.4480	3.691	10	107.7463	5.659	16	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(N[5]O[5]H)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH){1|H<1>}	C[5](C[5]C[5]CO)(N[5]O[5]H)(O){2|H<1>}	O(C[5]C[5]2C)(H)	110.9500	0.177	2	110.9500	0.031	2	107.7463	5.659	16	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:Si-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H)	O(C[5]C[5]2Si)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2Si)(H)	112.5450	0.000	1	112.5450	0.000	1	112.5450	0.000	1	108.8289	10.160	27	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)	O(C[5]C[5]2C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(H){4|H<1>}	O(C[5]C[5]2C)(CCHH)	111.4600	0.849	2	111.4600	0.720	2	111.4600	0.720	2	112.6373	4.518	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	C[5](C[5]C[5]CO)(N[5]C[5]H)(O)	O(C[5]C[5]2C)(CHHS)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(N[5]C[5]H)(O){1|C<3>,1|H<1>,2|O<2>}	O(C[5]C[5]2C)(CHHS)	114.9920	0.000	1	114.9920	0.000	1	114.9920	0.000	1	112.6373	4.518	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	112.2380	0.000	1	112.2380	0.000	1	110.5676	3.668	5	110.5676	3.668	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH){3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO){4|H<1>}	O(C[5]C[5]2C)(H)	109.9650	0.000	1	109.9650	0.000	1	110.5676	3.668	5	110.5676	3.668	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH){1|C<2>,1|C<3>,1|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O){1|C<2>,1|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	109.2960	0.000	1	109.2960	0.000	1	110.5676	3.668	5	110.5676	3.668	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2)	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2){1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	112.8920	0.000	1	112.8920	0.000	1	110.5676	3.668	5	110.5676	3.668	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH){1|C<3>,2|C<4>}	O(C[5]C[5]2C)(H)	108.4470	0.000	1	108.4470	0.000	1	110.5676	3.668	5	110.5676	3.668	5	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:	4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3){1|H<1>,3|C<3>}	O(C[5]C[5,5]C[5]C)(H)	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.6352	1.194	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5]2C)(H)	109.5777	0.363	3	109.5777	0.132	3	110.6054	1.385	7	110.6352	1.194	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	111.3762	0.913	4	111.3762	0.833	4	110.6054	1.385	7	110.6352	1.194	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5,6,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5,6,6]CO)(C[5]C[5,6]HH)(O)	O(C[5]C[5,6,6]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]CO)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	O(C[5]C[5,6,6]C[5]C)(H)	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]C)(H)	113.2120	0.000	1	113.2120	0.000	1	108.7450	39.908	2	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	104.2780	0.000	1	104.2780	0.000	1	108.7450	39.908	2	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	108.4900	0.219	2	108.4900	0.048	2	109.6145	1.849	4	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	110.7390	0.663	2	110.7390	0.440	2	109.6145	1.849	4	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	112.6120	0.000	1	112.6120	0.000	1	106.0942	15.554	9	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	102.4710	2.048	2	102.4710	4.193	2	106.0942	15.554	9	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	105.2460	0.000	1	105.2460	0.000	1	106.0942	15.554	9	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	108.1150	3.767	3	108.1150	14.191	3	106.0942	15.554	9	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	104.0680	0.000	1	104.0680	0.000	1	106.0942	15.554	9	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O)	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	103.6350	0.000	1	103.6350	0.000	1	106.0942	15.554	9	107.2472	14.208	16	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.1020	0.378	2	110.1020	0.143	2	110.1020	0.143	2	110.1449	7.018	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	O(C[5]C[5]2C)(H)	110.7320	3.256	6	110.7320	10.604	6	110.5463	9.078	7	110.1449	7.018	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H)	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH){2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H){2|H<1>}	O(C[5]C[5]2C)(H)	109.4320	0.000	1	109.4320	0.000	1	110.5463	9.078	7	110.1449	7.018	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	110.1449	7.018	10	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	O(C[5]C[5]2C)(CH3)	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[3]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH)	C[5](C[5]C[3]C[5]O)(O[5]C[5])(O)	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH){4|C<4>}	C[5](C[5]C[3]C[5]O)(O[5]C[5])(O){1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[3]C[5]2)(H)	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	108.4428	5.800	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[5](C[5]C[3x6]C[5]O)(O[5]C[5])(O)	O(C[5]C[3x6]C[5]2)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	C[5](C[5]C[3x6]C[5]O)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[3x6]C[5]2)(H)	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	108.4428	5.800	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	C[5](C[5]C[5]2O)(O[5]C[5])(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2O)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]3)(H)	111.4750	0.000	1	107.9192	6.715	6	107.9192	6.715	6	108.4428	5.800	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	C[5](C[5]C[5]2O)(O[5]C[5])(O)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){4|C<4>,4|H<1>}	C[5](C[5]C[5]2O)(O[5]C[5])(O){3|C<4>,4|H<1>}	O(C[5]C[5]3)(H)	107.2080	2.145	5	107.9192	6.715	6	107.9192	6.715	6	108.4428	5.800	8	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:3:	4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH)	C[5](C[5]C[5,5]2O)(O[5]C[5,5])(CCH)	O(C[5]C[5,5]2C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH){3|C<4>,3|H<1>,4|O<2>}	C[5](C[5]C[5,5]2O)(O[5]C[5,5])(CCH){2|C<4>,2|H<1>,3|O<2>}	O(C[5]C[5,5]2C[5])(H)	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:4:	4:1:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH)	O(C[5]C[5]2C[6])(H)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2C[6])(H)	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:	4:1:	C[3,5]-4:C-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]C)(H)	108.1475	2.782	2	108.1475	7.742	2	108.1475	7.742	2	108.8363	5.295	3	110.2511	9.150	790	110.6150	10.849	1136
474	818	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH)	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH)	O(C[5]C[5]3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH){1|H<1>,4|C<4>}	O(C[5]C[5]3)(H)	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	108.8363	5.295	3	110.2511	9.150	790	110.6150	10.849	1136