490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	3:4:1:1:	3:4:1:1:	C[5a]-3:C-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	S(C[6a]C[6a]2)(CC[5a]CH)(O)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	S(C[6a]C[6a]2)(CC[5a]CH)(O)2	106.5550	0.000	1	106.5550	0.000	1	106.5550	0.000	1	106.5550	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	3:4:2:1:	4:2:1:1:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	S(CC[6a]CH)(OC)(O)2	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	S(CC[6a]CH)(OC)(O)2	108.7860	0.018	2	108.7860	0.000	2	108.7860	0.000	2	108.7860	0.000	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	3:4:2:1:	4:4:1:1:	C[6a]-3:C-4:S-4:F-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	S(CC[6a]CF)(CH3)(O)2	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	S(CC[6a]CF)(CH3)(O)2	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	3:4:4:1:	3:4:1:1:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:1:1:	C[5a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	C(CC[5a]HS)(H)3	S(C[6a]C[6a]2)(CC[5a]CH)(O)2	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	C(CC[5a]HS)(H)3	S(C[6a]C[6a]2)(CC[5a]CH)(O)2	112.8905	0.121	2	112.8905	0.015	2	112.8905	0.015	2	110.1003	3.511	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	110.8000	0.000	1	110.8000	0.000	1	109.8466	0.915	8	110.1003	3.511	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	109.7104	0.946	7	109.7104	0.894	7	109.8466	0.915	8	110.1003	3.511	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:1:1:	N[5]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C(CN[5]HS)(H)3	S(C[6a]C[6a]2)(CN[5]CH)(O)2	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C(CN[5]HS)(H)3	S(C[6a]C[6a]2)(CN[5]CH)(O)2	106.5490	0.000	1	106.5490	0.000	1	106.5490	0.000	1	110.1003	3.511	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C(CC[6a]HS)(H)3	S(CC[6a]CH)(CH3)(O)2	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C(CC[6a]HS)(H)3	S(CC[6a]CH)(CH3)(O)2	111.4820	0.000	1	111.4820	0.000	1	107.7338	4.638	5	107.7338	4.638	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C(CC[6a]HS)(H)3	S(CC[6a]CH)(CHHS)(O)2	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C(CC[6a]HS)(H)3	S(CC[6a]CH)(CHHS)(O)2	106.7968	0.575	4	106.7968	0.330	4	107.7338	4.638	5	107.7338	4.638	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:3:3:1:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-3:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C(CC[5]HS)(CCHH)(H)2	S(C[6a]C[6a]2)(CC[5]CH)(O)2	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C(CC[5]HS)(CCHH)(H)2	S(C[6a]C[6a]2)(CC[5]CH)(O)2	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	110.6904	9.334	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:4:1:1:	3:4:1:1:	C[5a]-3:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	C(CC[5a]HS)(CH3)(H)2	S(C[6a]C[6a]2)(CC[5a]CH)(O)2	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	C(CC[5a]HS)(CH3)(H)2	S(C[6a]C[6a]2)(CC[5a]CH)(O)2	108.6693	0.236	3	108.6693	0.056	3	108.6693	0.056	3	110.6904	9.334	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:4:1:1:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C(CC[6a]HS)(CH3)(H)2	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C(CC[6a]HS)(CH3)(H)2	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	110.6904	9.334	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:S-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C(CC[6a]HS)(CCHH)(H)2	S(CC[6a]CH)(NCC)(O)2	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C(CC[6a]HS)(CCHH)(H)2	S(CC[6a]CH)(NCC)(O)2	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:4:4:4:	4:3:1:1:	C[6a]-3:C-4:S-4:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	S(CC[6a]CH)(NCC)(O)2	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	S(CC[6a]CH)(NCC)(O)2	117.0125	0.301	2	117.0125	0.090	2	117.0125	0.090	2	117.0125	0.090	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:2:	4:3:1:1:	3:4:1:1:	C[6a]-3:S-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCH)(H)2	S(C[6a]C[6a]2)(CC[6a]CC)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCH)(H)2	S(C[6a]C[6a]2)(CC[6a]CC)(O)2	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:2:	4:4:1:1:	3:4:1:1:	C[6a]-3:S-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCHH)(H)2	S(C[6a]C[6a]2)(CC[6a]CC)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCHH)(H)2	S(C[6a]C[6a]2)(CC[6a]CC)(O)2	105.5040	0.000	1	105.5040	0.000	1	105.5040	0.000	1	105.5040	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	4:4:1:1:	C-3:S-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CC[6a]N)(SCOO)(CH3)2	C(CCCS)(H)3	S(CC3)2(O)2	C(CC[6a]N)(SCOO)(CH3)2	C(CCCS)(H)3	S(CC3)2(O)2	107.8815	3.987	2	107.8815	15.899	2	107.8815	15.899	2	107.8815	15.899	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:3:4:1:	3:4:1:1:	3:4:1:1:	S-4:C-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CC[6a]C)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CC[6a]C)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:3:4:1:	4:2:1:1:	3:4:1:1:	S-4:C-3:C-4:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	C(CCHS)(SC)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	C(CCHS)(SC)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:3:4:1:	4:4:1:1:	3:4:1:1:	S-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	112.1270	0.602	2	112.1270	0.363	2	112.1270	0.363	2	112.1270	0.363	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	2:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a])(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a])(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHS)(SO3)(H)2	C(SC[6])(CHHS)(H)2	S(CCHH)(O)3	C(CHHS)(SO3)(H)2	C(SC[6])(CHHS)(H)2	S(CCHH)(O)3	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:3:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	115.8730	0.000	1	115.8730	0.000	1	115.8730	0.000	1	115.7360	0.038	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:3:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]2H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]2H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	115.7360	0.038	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:F-1:O-1:O-1:	C(CC[6a]C[5]H)(SFOO)(H)2	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	S(CCHH)(F)(O)2	C(CC[6a]C[5]H)(SFOO)(H)2	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	S(CCHH)(F)(O)2	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:O-1:O-1:	C(CC[6a]N[5]H)(SCOO)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	S(CCHH)(CH3)(O)2	C(CC[6a]N[5]H)(SCOO)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	S(CCHH)(CH3)(O)2	113.8742	1.790	5	113.8742	3.205	5	113.8742	3.205	5	113.8742	3.205	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:3:4:2:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]2O)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(OC)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]2O)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(OC)	S(C[6a]C[6a]2)(CCHH)(O)2	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	O-2:C-4:O-1:O-1:	C(CC[6a]HH)(SO3)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(OC[6a])(CCHH)(O)2	C(CC[6a]HH)(SO3)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(OC[6a])(CCHH)(O)2	111.2470	0.731	2	111.2470	0.535	2	111.2470	0.535	2	113.1096	4.129	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N-2:C-4:O-1:O-1:	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(NC[6a])(CCHH)(O)2	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(NC[6a])(CCHH)(O)2	114.3513	1.486	3	114.3513	2.209	3	114.3513	2.209	3	113.1096	4.129	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]HH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	111.9817	0.444	3	111.9817	0.197	3	111.9817	0.197	3	113.7521	3.722	12	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:O-1:O-1:	C(CC[6a]HH)(SN[6]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(N[6]C[6]2)(CCHH)(O)2	C(CC[6a]HH)(SN[6]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(N[6]C[6]2)(CCHH)(O)2	112.1970	0.000	1	112.1970	0.000	1	112.1970	0.000	1	113.7521	3.722	12	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N-3:C-4:O-1:O-1:	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(NC[6a]H)(CCHH)(O)2	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(NC[6a]H)(CCHH)(O)2	115.8375	1.109	4	115.8375	1.230	4	115.8375	1.230	4	113.7521	3.722	12	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:O-1:O-1:	C(CN[6]HH)(SN[6]OO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(N[6]C[6]2)(CCHH)(O)2	C(CN[6]HH)(SN[6]OO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(N[6]C[6]2)(CCHH)(O)2	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	113.7521	3.722	12	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	113.7521	3.722	12	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	113.7521	3.722	12	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	113.7521	3.722	12	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	3:4:2:1:	C-4:S-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:O-1:	C(CC[6a]HH)(SC[6a]NO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(H)2	S(C[6a]C[6a]2)(CCFH)(NS)(O)	C(CC[6a]HH)(SC[6a]NO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(H)2	S(C[6a]C[6a]2)(CCFH)(NS)(O)	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CC[6]HH)(SO3)(H)2	C(C[6]C[6]2)(CHHS)(H)2	S(CCHH)(O)3	C(CC[6]HH)(SO3)(H)2	C(C[6]C[6]2)(CHHS)(H)2	S(CCHH)(O)3	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	111.5717	2.172	16	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:F-1:O-1:O-1:	C(CN[5]HH)(SFOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)(F)(O)2	C(CN[5]HH)(SFOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)(F)(O)2	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	111.5717	2.172	16	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CN[5]HH)(SO3)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	S(CCHH)(O)3	C(CN[5]HH)(SO3)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	S(CCHH)(O)3	112.1220	2.997	2	112.1220	8.980	2	112.1220	8.980	2	111.5717	2.172	16	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:F-1:O-1:O-1:	C(CN[6]HH)(SFOO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(CCHH)(F)(O)2	C(CN[6]HH)(SFOO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(CCHH)(F)(O)2	111.3503	0.411	4	111.3503	0.169	4	111.3503	0.169	4	111.5717	2.172	16	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(CCHH)(O)3	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(CCHH)(O)3	113.9600	0.024	2	113.9600	0.001	2	113.9600	0.001	2	111.5717	2.172	16	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CN[6a]HH)(SO3)(H)2	C(N[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(O)3	C(CN[6a]HH)(SO3)(H)2	C(N[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(O)3	110.4460	0.588	6	110.4460	0.346	6	110.4460	0.346	6	111.5717	2.172	16	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(CCHH)(OH)(O)2	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2)(CHHS)(H)2	S(CCHH)(OH)(O)2	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:O-1:O-1:	C(CC[6a]HH)(SNOO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(NCH)(O)2	C(CC[6a]HH)(SNOO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(NCH)(O)2	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	112.0100	5.352	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:O-1:O-1:	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)(NCC)(O)2	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)(NCC)(O)2	111.3910	2.899	2	111.3910	8.405	2	111.3910	8.405	2	112.0100	5.352	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CCHH)(SCOO)(H)2	C(CC[6a]O)(CHHS)(H)2	S(CCHH)2(O)2	C(CCHH)(SCOO)(H)2	C(CC[6a]O)(CHHS)(H)2	S(CCHH)2(O)2	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	111.8748	1.717	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CC[6a]HH)(SCOO)(H)2	C(C[6a]C[6a]N[6a])(CHHS)(H)2	S(CCHH)2(O)2	C(CC[6a]HH)(SCOO)(H)2	C(C[6a]C[6a]N[6a])(CHHS)(H)2	S(CCHH)2(O)2	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	111.8748	1.717	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)(CH3)(O)2	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)(CH3)(O)2	112.5630	0.000	1	112.5630	0.000	1	112.0217	1.420	6	111.8748	1.717	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)2(O)2	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	S(CCHH)2(O)2	110.4130	0.000	1	110.4130	0.000	1	112.0217	1.420	6	111.8748	1.717	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	S(CCHH)2(O)2	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	S(CCHH)2(O)2	112.2885	1.145	4	112.2885	1.312	4	112.0217	1.420	6	111.8748	1.717	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CN[5a]HH)(SCOO)(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	S(CCHH)2(O)2	C(CN[5a]HH)(SCOO)(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	S(CCHH)2(O)2	112.4917	1.572	3	112.4917	2.473	3	112.4917	2.473	3	111.8748	1.717	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(OO)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]HO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(OO)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	115.0805	1.615	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HS)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(SC)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]HS)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(SC)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	115.0805	1.615	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:2:1:	3:4:2:1:	C-4:S-4:F-1:F-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:O-1:	C(CC[6a]HO)(SC[6a]NO)(F)2	C(C[6a]C[6a]2)(CFFS)(OH)(H)	S(C[6a]C[6a]2)(CCFF)(NH)(O)	C(CC[6a]HO)(SC[6a]NO)(F)2	C(C[6a]C[6a]2)(CFFS)(OH)(H)	S(C[6a]C[6a]2)(CCFF)(NH)(O)	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:S-4:Cl-1:Cl-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(Cl)2	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	S(C[6a]C[6a]2)(CCl2C)(O)2	C(CC[6a]HN)(SC[6a]OO)(Cl)2	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	S(C[6a]C[6a]2)(CCl2C)(O)2	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	112.3110	7.189	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:S-4:F-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	S(C[6a]C[6a]2)(CCFH)(O)2	C(CC[6a]CH)(SC[6a]OO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	S(C[6a]C[6a]2)(CCFH)(O)2	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	112.3110	7.189	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:3:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CN[5]CH)(H)2	C(N[5]C[5]2)(CHHS)(CNO)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CN[5]CH)(H)2	C(N[5]C[5]2)(CHHS)(CNO)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	115.2520	0.000	1	115.2520	0.000	1	115.2520	0.000	1	112.3110	7.189	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:O-1:O-1:	C(CC[6a]CH)(SFOO)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	S(CCHH)(F)(O)2	C(CC[6a]CH)(SFOO)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	S(CCHH)(F)(O)2	113.5390	0.000	1	113.5390	0.000	1	113.5390	0.000	1	113.5390	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[5a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[5a]OO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	S(C[5a]N[5a]2)(CCHH)(O)2	C(CC[6a]CH)(SC[5a]OO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	S(C[5a]N[5a]2)(CCHH)(O)2	116.7605	4.126	2	116.7605	17.024	2	116.7605	17.024	2	116.1051	3.886	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	114.5030	0.000	1	114.5030	0.000	1	116.2583	2.339	3	116.1051	3.886	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	117.1360	0.238	2	117.1360	0.056	2	116.2583	2.339	3	116.1051	3.886	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	116.1051	3.886	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	S-4:C-4:F-1:F-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHN)(F)2	C(NC[6a]H)(CClCH)(CFFS)(H)	S(C[6a]C[6a]2)(CCFF)(O)2	C(SC[6a]OO)(CCHN)(F)2	C(NC[6a]H)(CClCH)(CFFS)(H)	S(C[6a]C[6a]2)(CCFF)(O)2	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	116.1051	3.886	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	116.1051	3.886	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(CC[6a]HP)(SO3)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	S(CCHH)(OPd)(O)2	C(CC[6a]HP)(SO3)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	S(CCHH)(OPd)(O)2	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:2:	3:4:1:1:	C-4:S-4:F-1:F-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:N-1:O-1:	C(CC[6a]CO)(SC[6a]NO)(F)2	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	S(C[6a]C[6a]2)(CCFF)(N)(O)	C(CC[6a]CO)(SC[6a]NO)(F)2	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	S(C[6a]C[6a]2)(CCFF)(N)(O)	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	117.1827	1.592	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:2:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]CO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	S(C[6a]C[6a]2)(CCHH)(O)2	116.8780	1.621	2	116.8780	2.627	2	116.8780	2.627	2	117.1827	1.592	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:3:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	S(C[6a]C[6a]2)(CCHH)(O)2	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	3:4:4:3:	4:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:O-1:O-1:	C(CC[6a]CC)(SCOO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	S(CCHH)(CH3)(O)2	C(CC[6a]CC)(SCOO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	S(CCHH)(CH3)(O)2	117.7250	2.977	2	117.7250	8.862	2	117.7250	8.862	2	117.7250	8.862	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CFHH)(H)2	C(CHHS)(F)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CFHH)(H)2	C(CHHS)(F)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	112.9446	2.205	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:O-1:O-1:	C(SCOO)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]C)(CCHH)(O)2	C(SCOO)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]C)(CCHH)(O)2	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	112.9446	2.205	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)2	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)2	113.3130	0.000	1	113.3130	0.000	1	113.1723	2.565	3	112.9446	2.205	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a]S[5a])(CCHH)(O)2	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a]S[5a])(CCHH)(O)2	114.6990	0.000	1	114.6990	0.000	1	113.1723	2.565	3	112.9446	2.205	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]N[5a]2)(CCHH)(O)2	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]N[5a]2)(CCHH)(O)2	111.5050	0.000	1	111.5050	0.000	1	113.1723	2.565	3	112.9446	2.205	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-1:O-1:	C(SC[6]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[6]C[6]N[6])(CCHH)(O)2	C(SC[6]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[6]C[6]N[6])(CCHH)(O)2	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	112.9446	2.205	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[6a]C[6a]2)(CCHH)(O)2	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	112.9446	2.205	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	3:4:2:1:	S-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:O-1:	C(SC[6a]NO)(CH3)(F)(H)	C(CFHS)(H)3	S(C[6a]C[6a]2)(CCFH)(NS)(O)	C(SC[6a]NO)(CH3)(F)(H)	C(CFHS)(H)3	S(C[6a]C[6a]2)(CCFH)(NS)(O)	110.3090	0.363	2	110.3090	0.132	2	110.3090	0.132	2	110.3090	0.132	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:S-4:F-1:F-1:	C-4:F-1:F-1:H-1:	C-4:O-1:O-1:O-1:	C(CFFH)(SO3)(F)2	C(CFFS)(F)2(H)	S(CCFF)(O)3	C(CFFH)(SO3)(F)2	C(CFFS)(F)2(H)	S(CCFF)(O)3	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	113.1697	0.681	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CH3)(SO3)(H)2	C(CHHS)(H)3	S(CCHH)(O)3	C(CH3)(SO3)(H)2	C(CHHS)(H)3	S(CCHH)(O)3	112.7490	0.547	2	112.7490	0.300	2	112.7490	0.300	2	113.1697	0.681	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)(SO3)(H)2	C(CHHS)(H)3	S(CCHH)(OSn)(O)2	C(CH3)(SO3)(H)2	C(CHHS)(H)3	S(CCHH)(OSn)(O)2	112.4350	0.873	2	112.4350	0.761	2	112.4350	0.761	2	114.1245	4.107	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	4:2:1:1:	S-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C-4:N-2:O-1:O-1:	C(SNOO)(CF3)(F)2	C(CFFS)(F)3	S(CCFF)(NS)(O)2	C(SNOO)(CF3)(F)2	C(CFFS)(F)3	S(CCFF)(NS)(O)2	115.8140	0.378	2	115.8140	0.143	2	115.8140	0.143	2	114.1245	4.107	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	4:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(SCOO)(CH3)(H)2	C(CHHS)(H)3	S(CCHH)2(O)2	C(SCOO)(CH3)(H)2	C(CHHS)(H)3	S(CCHH)2(O)2	111.2930	2.200	6	111.2930	4.839	6	111.2930	4.839	6	110.8604	5.343	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:1:1:1:	4:4:1:1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:O-1:O-1:	C(SC[5,6]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5,6]C[5,6]C[5]C[6])(CCHH)(O)2	C(SC[5,6]OO)(CH3)(H)2	C(CHHS)(H)3	S(C[5,6]C[5,6]C[5]C[6])(CCHH)(O)2	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	110.8604	5.343	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CHHO)(SCOO)(H)2	C(CHHS)(OH)(H)2	S(CC[6,6]HH)(CCHH)(O)2	C(CHHO)(SCOO)(H)2	C(CHHS)(OH)(H)2	S(CC[6,6]HH)(CCHH)(O)2	115.2610	1.044	2	115.2610	1.089	2	115.2610	1.089	2	113.7638	3.435	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:2:1:1:	4:4:1:1:	S-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-1:O-1:	C(SC[6]OO)(CHHO)(H)2	C(CHHS)(OC)(H)2	S(C[6]C[6]2H)(CCHH)(O)2	C(SC[6]OO)(CHHO)(H)2	C(CHHS)(OC)(H)2	S(C[6]C[6]2H)(CCHH)(O)2	112.2665	0.500	2	112.2665	0.250	2	112.2665	0.250	2	113.7638	3.435	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CCHH)(H)2	C(CHHS)(CCH)(H)2	S(C[5a]N[5a]S[5a])(CCHH)(O)2	C(SC[5a]OO)(CCHH)(H)2	C(CHHS)(CCH)(H)2	S(C[5a]N[5a]S[5a])(CCHH)(O)2	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	111.6724	6.071	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CHHN)(H)2	C(CHHS)(NCH)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CHHN)(H)2	C(CHHS)(NCH)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	111.6724	6.071	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CHHS)(H)2	C(CHHS)(SIr2)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CHHS)(H)2	C(CHHS)(SIr2)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	110.7897	1.054	3	110.7897	1.111	3	110.7897	1.111	3	111.6724	6.071	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NCC)(H)2	S(CCHH)(O)3	C(CHHN)(SO3)(H)2	C(CHHS)(NCC)(H)2	S(CCHH)(O)3	111.3895	1.109	2	111.3895	1.231	2	112.0326	1.516	5	112.0326	1.516	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NCH)(H)2	S(CCHH)(O)3	C(CHHN)(SO3)(H)2	C(CHHS)(NCH)(H)2	S(CCHH)(O)3	112.5755	1.838	2	112.5755	3.377	2	112.0326	1.516	5	112.0326	1.516	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NCuC)(H)2	S(CCHH)(O)3	C(CHHN)(SO3)(H)2	C(CHHS)(NCuC)(H)2	S(CCHH)(O)3	112.2330	0.000	1	112.2330	0.000	1	112.0326	1.516	5	112.0326	1.516	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NCuC)(H)2	S(CCHH)(OCu)(O)2	C(CHHN)(SO3)(H)2	C(CHHS)(NCuC)(H)2	S(CCHH)(OCu)(O)2	113.5870	0.000	1	113.5870	0.000	1	113.6595	0.011	2	112.7280	2.608	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NNiC)(H)2	S(CCHH)(ONi)(O)2	C(CHHN)(SO3)(H)2	C(CHHS)(NNiC)(H)2	S(CCHH)(ONi)(O)2	113.7320	0.000	1	113.7320	0.000	1	113.6595	0.011	2	112.7280	2.608	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-2:O-1:O-1:	C(CHHN)(SOOS)(H)2	C(CHHS)(NCuC)(H)2	S(CCHH)(SC)(O)2	C(CHHN)(SOOS)(H)2	C(CHHS)(NCuC)(H)2	S(CCHH)(SC)(O)2	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	112.7280	2.608	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CCHH)(SCOO)(H)2	C(CHHS)(CCO)(H)2	S(CCHH)(CFHH)(O)2	C(CCHH)(SCOO)(H)2	C(CHHS)(CCO)(H)2	S(CCHH)(CFHH)(O)2	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:3:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(H)2	C(CHHS)(CCH)(CNO)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCCH)(H)2	C(CHHS)(CCH)(CNO)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	114.3640	0.000	1	114.3640	0.000	1	114.3640	0.000	1	114.3640	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5a]-3:C-4:O-1:O-1:	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	S(C[5a]N[5a]2)(CCHH)(O)2	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	S(C[5a]N[5a]2)(CCHH)(O)2	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	114.5335	2.839	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:3:4:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	114.5335	2.839	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:S-4:F-1:F-1:	C-4:C-4:F-1:F-1:	N-2:C-4:O-1:O-1:	C(CCFF)(SNOO)(F)2	C(CCFF)(CFFS)(F)2	S(NC[6a])(CCFF)(O)2	C(CCFF)(SNOO)(F)2	C(CCFF)(CFFS)(F)2	S(NC[6a])(CCFF)(O)2	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	114.5840	3.350	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:S-4:F-1:F-1:	C-4:C-4:F-1:F-1:	O-2:C-4:O-1:O-1:	C(CCFF)(SO3)(F)2	C(CCFF)(CFFS)(F)2	S(OC[6a])(CCFF)(O)2	C(CCFF)(SO3)(F)2	C(CCFF)(CFFS)(F)2	S(OC[6a])(CCFF)(O)2	116.0100	0.000	1	116.0100	0.000	1	116.0100	0.000	1	114.5840	3.350	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:S-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	N-2:C-4:O-1:O-1:	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	S(NC[6])(CCHH)(O)2	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	S(NC[6])(CCHH)(O)2	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	114.5840	3.350	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-3:C-4:O-1:O-1:	C(CCFF)(SCOO)(F)2	C(CCFF)(CFFS)(F)2	S(CC[5]C)(CCFF)(O)2	C(CCFF)(SCOO)(F)2	C(CCFF)(CFFS)(F)2	S(CC[5]C)(CCFF)(O)2	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:O-1:O-1:	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	S(CC[6a]C)(CCHH)(O)2	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	S(CC[6a]C)(CCHH)(O)2	113.5990	0.000	1	113.5990	0.000	1	115.2020	2.666	3	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:O-1:O-1:	C(CCHH)(SCOO)(H)2	C(CHHS)2(H)2	S(CC[6a]C)(CCHH)(O)2	C(CCHH)(SCOO)(H)2	C(CHHS)2(H)2	S(CC[6a]C)(CCHH)(O)2	116.0035	1.216	2	116.0035	1.477	2	115.2020	2.666	3	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:O-1:O-1:	C(CCHH)(SNOO)(H)2	C(CHHS)(CH3)(H)2	S(NC[5a]C)(CCHH)(O)2	C(CCHH)(SNOO)(H)2	C(CHHS)(CH3)(H)2	S(NC[5a]C)(CCHH)(O)2	114.4450	0.000	1	114.4450	0.000	1	114.4450	0.000	1	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	N-3:C-4:O-1:O-1:	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	S(NC[5]H)(CCHH)(O)2	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	S(NC[5]H)(CCHH)(O)2	110.9370	0.000	1	110.9370	0.000	1	112.2035	3.208	2	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	N-3:C-4:O-1:O-1:	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	S(NC[6]H)(CCHH)(O)2	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	S(NC[6]H)(CCHH)(O)2	113.4700	0.000	1	113.4700	0.000	1	112.2035	3.208	2	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6,6]HH)(SC[6a]OO)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(CC[6,6]HH)(SC[6a]OO)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	114.1315	0.336	2	114.1315	0.113	2	114.1315	0.113	2	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(Br)(H)	C(CBrHS)(CCHO)(H)2	S(C[6a]C[6a]2)(CBrCH)(O)2	C(SC[6a]OO)(CCHH)(Br)(H)	C(CBrHS)(CCHO)(H)2	S(C[6a]C[6a]2)(CBrCH)(O)2	111.6727	1.236	3	111.6727	1.527	3	111.6727	1.527	3	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CCHH)(H)2	C(CCCO)(CHHS)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	C(SC[5a]OO)(CCHH)(H)2	C(CCCO)(CHHS)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	113.3645	0.097	2	113.3645	0.009	2	113.3645	0.009	2	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	113.1833	2.869	4	113.1833	8.229	4	113.1836	3.710	8	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(H)2	C(CCHO)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCHH)(H)2	C(CCHO)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	113.7440	0.170	2	113.7440	0.029	2	113.1836	3.710	8	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(H)2	C(CCHS)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCHH)(H)2	C(CCHS)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	112.6100	0.000	1	112.6100	0.000	1	113.1836	3.710	8	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	112.6380	0.000	1	112.6380	0.000	1	113.1836	3.710	8	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	C(SC[5a]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	N[3]-3:C-4:O-1:O-1:	C(SN[3]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	S(N[3]C[3]2)(CCHH)(O)2	C(SN[3]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	S(N[3]C[3]2)(CCHH)(O)2	113.2413	1.604	3	113.2413	2.573	3	113.2413	2.573	3	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CHHS)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CHHS)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	109.7480	0.000	1	109.7480	0.000	1	112.4485	14.585	2	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CHHS)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CHHS)(H)2	S(C[5a]N[5a]2)(CCHH)(O)2	115.1490	0.000	1	115.1490	0.000	1	112.4485	14.585	2	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CHHS)(H)2	S(C[5a]N[5a]S[5a])(CCHH)(O)2	C(SC[5a]OO)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CHHS)(H)2	S(C[5a]N[5a]S[5a])(CCHH)(O)2	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	116.8530	0.000	1	116.8530	0.000	1	113.6653	9.875	3	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	113.5730	0.000	1	113.5730	0.000	1	113.6653	9.875	3	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]N[6]C)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]N[6]C)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)2	110.5700	0.000	1	110.5700	0.000	1	113.6653	9.875	3	113.1050	4.165	33	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:O-1:O-1:O-1:	C(CCFF)(SO3)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(O)3	C(CCFF)(SO3)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(O)3	114.9120	0.085	2	114.9120	0.007	2	114.9120	0.007	2	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(SO3)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(O)3	C(CCHH)(SO3)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(O)3	113.7683	1.222	17	113.7683	1.493	17	113.3436	1.337	48	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(SO3)(H)2	C(CHHN)(CHHS)(H)2	S(CCHH)(O)3	C(CCHH)(SO3)(H)2	C(CHHN)(CHHS)(H)2	S(CCHH)(O)3	113.0880	1.186	8	113.0880	1.407	8	113.3436	1.337	48	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(SO3)(H)2	C(CHHS)2(H)2	S(CCHH)(O)3	C(CCHH)(SO3)(H)2	C(CHHS)2(H)2	S(CCHH)(O)3	112.3570	0.000	1	112.3570	0.000	1	113.3436	1.337	48	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(SO3)(H)2	C(CN[3x6]HH)(CHHS)(H)2	S(CCHH)(O)3	C(CCHH)(SO3)(H)2	C(CN[3x6]HH)(CHHS)(H)2	S(CCHH)(O)3	112.0450	0.000	1	112.0450	0.000	1	113.3436	1.337	48	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(SO3)(H)2	C(CN[5]HH)(CHHS)(H)2	S(CCHH)(O)3	C(CCHH)(SO3)(H)2	C(CN[5]HH)(CHHS)(H)2	S(CCHH)(O)3	113.4377	1.082	13	113.4377	1.171	13	113.3436	1.337	48	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	S(CCHH)(O)3	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	S(CCHH)(O)3	112.8295	0.967	8	112.8295	0.936	8	113.3436	1.337	48	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NCHH)(H)2	S(CCHH)(O)3	C(CHHN)(SO3)(H)2	C(CHHS)(NCHH)(H)2	S(CCHH)(O)3	112.1650	0.787	4	112.1650	0.620	4	112.3874	0.391	7	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NH3)(H)2	S(CCHH)(O)3	C(CHHN)(SO3)(H)2	C(CHHS)(NH3)(H)2	S(CCHH)(O)3	112.6840	0.114	3	112.6840	0.013	3	112.3874	0.391	7	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHS)(SO3)(H)2	C(CHHS)(SO3)(H)2	S(CCHH)(O)3	C(CHHS)(SO3)(H)2	C(CHHS)(SO3)(H)2	S(CCHH)(O)3	111.7299	0.659	16	111.7299	0.434	16	111.7299	0.434	16	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:O-1:O-1:	C(CC[5]HH)(SFOO)(H)2	C(C[5]C[5]S[5]H)(CHHS)(H)2	S(CCHH)(F)(O)2	C(CC[5]HH)(SFOO)(H)2	C(C[5]C[5]S[5]H)(CHHS)(H)2	S(CCHH)(F)(O)2	115.1800	0.000	1	115.1800	0.000	1	115.1800	0.000	1	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2H)(CHHS)(H)2	S(CCHH)(O)3	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2H)(CHHS)(H)2	S(CCHH)(O)3	110.6577	0.034	3	110.6577	0.001	3	110.6577	0.001	3	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:1:1:1:	S-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:Cl-1:O-1:O-1:	C(SClOO)(CCFF)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(Cl)(O)2	C(SClOO)(CCFF)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(Cl)(O)2	112.3175	1.409	2	112.3175	1.986	2	112.3175	1.986	2	112.8670	1.742	79	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:O-1:O-1:	C(CCHH)(SNOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(NC)(O)2	C(CCHH)(SNOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(NC)(O)2	112.6880	0.000	1	112.6880	0.000	1	112.1255	0.633	2	112.8562	1.839	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:O-1:O-1:	C(CCHH)(SNOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(NN)(O)2	C(CCHH)(SNOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(NN)(O)2	111.5630	0.000	1	111.5630	0.000	1	112.1255	0.633	2	112.8562	1.839	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(SO3)(H)2	C(CHHP)(CHHS)(H)2	S(CCHH)(OPd)(O)2	C(CCHH)(SO3)(H)2	C(CHHP)(CHHS)(H)2	S(CCHH)(OPd)(O)2	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	112.8562	1.839	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHN)(SO3)(H)2	C(CHHS)(NH3)(H)2	S(CCHH)(OH)(O)2	C(CHHN)(SO3)(H)2	C(CHHS)(NH3)(H)2	S(CCHH)(OH)(O)2	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	112.8562	1.839	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:S-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHP)(SO3)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	S(CCHH)(OPd)(O)2	C(CHHP)(SO3)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	S(CCHH)(OPd)(O)2	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	112.8562	1.839	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:S-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-3:O-1:O-1:	C(CCFF)(SCOO)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(CBrS)(O)2	C(CCFF)(SCOO)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(CBrS)(O)2	114.1320	0.389	2	114.1320	0.151	2	114.1320	0.151	2	114.1320	0.151	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(CCHS)(O)2	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(CCHS)(O)2	116.3035	1.848	2	116.3035	3.414	2	113.5950	11.489	4	112.7404	13.432	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)2(O)2	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)2(O)2	110.8865	1.307	2	110.8865	1.709	2	113.5950	11.489	4	112.7404	13.432	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:S-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CSiHH)(SCOO)(H)2	C(SiCCO)(CHHS)(H)2	S(CC[6a]HH)(CCHH)(O)2	C(CSiHH)(SCOO)(H)2	C(SiCCO)(CHHS)(H)2	S(CC[6a]HH)(CCHH)(O)2	113.5440	4.081	2	113.5440	16.658	2	113.5440	16.658	2	112.7404	13.432	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:O-1:O-1:	C(SC[6,6]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	S(C[6,6]C[6,6]C[6]2)(CCHH)(O)2	C(SC[6,6]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	S(C[6,6]C[6,6]C[6]2)(CCHH)(O)2	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	112.7404	13.432	7	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:S-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CSiHH)(SC3)(H)2	C(SiN[5]OO)(CHHS)(H)2	S(CCHH)(CH3)3	C(CSiHH)(SC3)(H)2	C(SiN[5]OO)(CHHS)(H)2	S(CCHH)(CH3)3	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:2:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	112.7530	0.000	1	112.7530	0.000	1	114.3910	2.226	3	114.3910	2.226	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:2:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHO)(H)2	C(CCHH)(CHHS)(OH)(H)	S(C[6a]C[6a]N[6a])(CCHH)(O)2	C(SC[6a]OO)(CCHO)(H)2	C(CCHH)(CHHS)(OH)(H)	S(C[6a]C[6a]N[6a])(CCHH)(O)2	115.2100	0.653	2	115.2100	0.427	2	114.3910	2.226	3	114.3910	2.226	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-1:O-1:O-1:	C(CCHO)(SO3)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	S(CCHH)(O)3	C(CCHO)(SO3)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	S(CCHH)(O)3	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-1:O-1:	C(CCHO)(SCOO)(H)2	C(CHHS)(CC3)(OC)(H)	S(CCHH)(CCH)(O)2	C(CCHO)(SCOO)(H)2	C(CHHS)(CC3)(OC)(H)	S(CCHH)(CCH)(O)2	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:2:1:	4:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-1:O-1:	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CC3)(OC)(H)	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CC3)(OC)(H)	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	113.6320	0.000	1	113.6320	0.000	1	113.3085	1.045	8	113.3085	1.045	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:2:1:	4:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-1:O-1:	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CC3)(OC)(H)	S(C[6]C[6]2H)(CCHH)(O)2	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CC3)(OC)(H)	S(C[6]C[6]2H)(CCHH)(O)2	112.5380	0.646	4	112.5380	0.418	4	113.3085	1.045	8	113.3085	1.045	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:2:1:	4:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-1:O-1:	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CH3)(OC)(H)	S(C[6]C[6]2H)(CCHH)(O)2	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CH3)(OC)(H)	S(C[6]C[6]2H)(CCHH)(O)2	114.2280	0.724	3	114.2280	0.524	3	113.3085	1.045	8	113.3085	1.045	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:3:1:	3:4:1:1:	S-4:C-4:F-1:F-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHN)(F)2	C(CCHN)(CFFS)(NHS)(H)	S(C[6a]C[6a]2)(CCFF)(O)2	C(SC[6a]OO)(CCHN)(F)2	C(CCHN)(CFFS)(NHS)(H)	S(C[6a]C[6a]2)(CCFF)(O)2	115.4880	0.004	2	115.4880	0.000	2	115.4880	0.000	2	114.0192	1.801	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:3:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(H)2	C(CCHN)(CHHS)(CCH)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCCH)(H)2	C(CCHN)(CHHS)(CCH)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	113.1020	0.000	1	113.1020	0.000	1	113.0400	0.007	3	114.0192	1.801	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:3:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(H)2	C(CC[3]HO)(CHHS)(CCC)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCCH)(H)2	C(CC[3]HO)(CHHS)(CCC)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	113.0090	0.091	2	113.0090	0.008	2	113.0400	0.007	3	114.0192	1.801	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:O-1:O-1:O-1:	C(CCHN)(SO3)(H)2	C(CHHS)(NH3)(COO)(H)	S(CCHH)(O)3	C(CCHN)(SO3)(H)2	C(CHHS)(NH3)(COO)(H)	S(CCHH)(O)3	115.1862	0.146	5	115.1862	0.021	5	115.1862	0.021	5	115.1862	0.021	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:3:2:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCO)(H)2	C(CHHS)(CH3)(CNO)(OH)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CCCO)(H)2	C(CHHS)(CH3)(CNO)(OH)	S(C[6a]C[6a]2)(CCHH)(O)2	116.9328	2.628	5	116.9328	6.907	5	116.9328	6.907	5	116.9328	6.907	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:4:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	112.6780	0.000	1	112.6780	0.000	1	113.2283	4.225	3	113.2283	4.225	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:4:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	111.5040	0.000	1	111.5040	0.000	1	113.2283	4.225	3	113.2283	4.225	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:4:1:	3:4:1:1:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	S(C[6a]C[6a]2)(CCHH)(O)2	115.5030	0.000	1	115.5030	0.000	1	113.2283	4.225	3	113.2283	4.225	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:4:3:	3:4:1:1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC3)(H)2	C(CC[6a]HO)(CHHS)(CH3)(CCH)	S(C[6a]C[6a]2)(CCHH)(O)2	C(SC[6a]OO)(CC3)(H)2	C(CC[6a]HO)(CHHS)(CH3)(CCH)	S(C[6a]C[6a]2)(CCHH)(O)2	121.4730	0.000	1	121.4730	0.000	1	121.4730	0.000	1	121.4730	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:S-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:O-1:O-1:O-1:	C(CCCN)(SO3)(H)2	C(CHHS)(CH3)2(NCH)	S(CCHH)(O)3	C(CCCN)(SO3)(H)2	C(CHHS)(CH3)2(NCH)	S(CCHH)(O)3	119.2737	0.431	3	119.2737	0.186	3	119.2737	0.186	3	119.2737	0.186	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:1:1:	4:6:1:1:	4:1:1:1:	C-4:S-4:F-1:F-1:	C-4:S-6:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHS)(SO3)(F)2	C(CFFS)(SF5)(H)2	S(CCFF)(O)3	C(CHHS)(SO3)(F)2	C(CFFS)(SF5)(H)2	S(CCFF)(O)3	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:2:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CH3)(CC)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CH3)(CC)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	108.0370	0.000	1	108.0370	0.000	1	110.7365	14.575	2	110.7365	14.575	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:2:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CH3)(CN)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CH3)(CN)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	113.4360	0.000	1	113.4360	0.000	1	110.7365	14.575	2	110.7365	14.575	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:S-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	S(C[6a]C[6a]2)(CCHN)(O)2	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	S(C[6a]C[6a]2)(CCHN)(O)2	105.1530	0.000	1	105.1530	0.000	1	105.1530	0.000	1	105.1530	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	3:4:2:1:	4:4:4:4:	C-4:S-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(SC3)(CCH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	S(CCCH)(CH3)3	C(CC[6a]HO)(SC3)(CCH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	S(CCCH)(CH3)3	112.8850	0.798	2	112.8850	0.636	2	112.8850	0.636	2	112.8850	0.636	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	3:4:3:1:	3:4:1:1:	C-4:S-4:C-3:F-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)(COO)(F)	C(C[6a]C[6a]2)(CCFS)(CCH)(H)	S(C[6a]C[6a]2)(CCCF)(O)2	C(CC[6a]CH)(SC[6a]OO)(COO)(F)	C(C[6a]C[6a]2)(CCFS)(CCH)(H)	S(C[6a]C[6a]2)(CCCF)(O)2	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	3:4:4:1:	3:4:1:1:	C-4:S-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	S(C[6a]C[6a]N[6a])(CCCH)(O)2	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	S(C[6a]C[6a]N[6a])(CCCH)(O)2	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:1:1:1:	4:4:1:1:	S-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(SCOO)(CH3)(COO)(H)	C(CCHS)(H)3	S(CC[6a]CH)(CCCH)(O)2	C(SCOO)(CH3)(COO)(H)	C(CCHS)(H)3	S(CC[6a]CH)(CCCH)(O)2	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:S-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(SO3)(COO)(H)	C(CCHS)(COO)(H)2	S(CCCH)(O)3	C(CCHH)(SO3)(COO)(H)	C(CCHS)(COO)(H)2	S(CCCH)(O)3	109.1583	0.536	3	109.1583	0.288	3	109.1583	0.288	3	109.1583	0.288	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:S-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CHHN)(SCOO)(CCH)(H)	C(CCHS)(NCC)(H)2	S(CCCH)(CH3)(O)2	C(CHHN)(SCOO)(CCH)(H)	C(CCHS)(NCC)(H)2	S(CCCH)(CH3)(O)2	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CCHS)(CH3)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CCHS)(CH3)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	110.3680	0.000	1	110.3680	0.000	1	109.1778	2.693	5	108.9878	2.371	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	110.3690	0.000	1	110.3690	0.000	1	109.1778	2.693	5	108.9878	2.371	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	107.7360	1.878	2	107.7360	3.527	2	109.1778	2.693	5	108.9878	2.371	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CNO)(H)	C(CCHS)(CHHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCHH)(CNO)(H)	C(CCHS)(CHHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	109.6800	0.000	1	109.6800	0.000	1	109.1778	2.693	5	108.9878	2.371	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:O-1:O-1:	C(SN[6]OO)(CCHH)(CCH)(H)	C(CCHH)(CCHS)(H)2	S(N[6]C[6]2)(CCCH)(O)2	C(SN[6]OO)(CCHH)(CCH)(H)	C(CCHH)(CCHS)(H)2	S(N[6]C[6]2)(CCCH)(O)2	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.9878	2.371	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:4:4:1:	3:4:1:1:	S-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCHO)(CCHS)(CH3)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCHO)(CCHS)(CH3)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	110.9333	0.939	3	110.9333	0.882	3	110.9333	0.882	3	110.9333	0.882	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:3:2:	3:4:1:1:	3:4:1:1:	C-4:S-4:C-3:C-2:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	C(C[6a]C[6a]2)(CCCS)(H)2	S(C[6a]C[6a]2)(CC3)(O)2	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	C(C[6a]C[6a]2)(CCCS)(H)2	S(C[6a]C[6a]2)(CC3)(O)2	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:2:4:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-3:Se-2:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	112.0315	0.530	2	112.0315	0.281	2	111.0974	2.477	5	111.0974	2.477	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	110.4747	1.833	3	110.4747	3.360	3	111.0974	2.477	5	111.0974	2.477	5	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	109.1783	2.606	3	109.1783	6.789	3	109.1783	6.789	3	110.2913	3.732	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(F)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(F)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	110.2913	3.732	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:S-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	C(CC[6a]HH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	110.4245	0.678	2	110.4245	0.460	2	110.4245	0.460	2	110.2913	3.732	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[5]-4:C-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5]HS)(H)2	S(C[6a]C[6a]2)(CC[5]CH)(O)2	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5]HS)(H)2	S(C[6a]C[6a]2)(CC[5]CH)(O)2	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	110.2913	3.732	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:S-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	C(N[6]C[6]2)(CC[6]HS)(H)2	S(C[6a]C[6a]2)(CC[6]CH)(O)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	C(N[6]C[6]2)(CC[6]HS)(H)2	S(C[6a]C[6a]2)(CC[6]CH)(O)2	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	110.2913	3.732	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CN[5a]O)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CN[5a]O)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	110.2913	3.732	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:S-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CC[5a]HH)(SCOO)2(H)	C(C[5a]C[5a]N[5a])(CHSS)(H)2	S(CCHS)(CF3)(O)2	C(CC[5a]HH)(SCOO)2(H)	C(C[5a]C[5a]N[5a])(CHSS)(H)2	S(CCHS)(CF3)(O)2	111.0160	1.442	2	111.0160	2.081	2	111.0160	2.081	2	110.0242	3.728	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:S-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CC[6a]HH)(SCOO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	S(CCHS)(CF3)(O)2	C(CC[6a]HH)(SCOO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	S(CCHS)(CF3)(O)2	109.0325	2.273	2	109.0325	5.168	2	109.0325	5.168	2	110.0242	3.728	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:S-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	111.1620	2.067	3	111.1620	4.273	3	111.1620	4.273	3	109.8642	2.078	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:2:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	109.1340	0.375	4	109.1340	0.141	4	109.1340	0.141	4	109.8642	2.078	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:2:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	109.3780	0.018	2	109.3780	0.000	2	109.3780	0.000	2	109.8642	2.078	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:3:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	111.4350	0.000	1	111.4350	0.000	1	112.5100	2.311	2	112.6788	7.437	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:3:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	113.5850	0.000	1	113.5850	0.000	1	112.5100	2.311	2	112.6788	7.437	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:3:1:	3:4:1:1:	C-4:S-4:S-4:F-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)2(F)	C(C[6a]C[6a]2)(CFSS)(CCH)(H)	S(C[6a]C[6a]2)(CCFS)(O)2	C(CC[6a]CH)(SC[6a]OO)2(F)	C(C[6a]C[6a]2)(CFSS)(CCH)(H)	S(C[6a]C[6a]2)(CCFS)(O)2	114.0995	5.257	2	114.0995	27.640	2	114.0995	27.640	2	112.6788	7.437	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	3:4:3:1:	3:4:1:1:	C-4:S-4:S-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]CH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	S(C[6a]C[6a]2)(CCHS)(O)2	C(CC[6a]CH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	S(C[6a]C[6a]2)(CCHS)(O)2	111.4270	0.062	2	111.4270	0.004	2	111.4270	0.004	2	112.6788	7.437	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	110.5180	0.000	1	110.5180	0.000	1	111.2372	0.459	6	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	112.3130	0.000	1	112.3130	0.000	1	111.2372	0.459	6	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	111.1480	0.443	4	111.1480	0.197	4	111.2372	0.459	6	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:Br-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CH3)2(Br)	C(CBrCS)(H)3	S(C[6a]C[6a]2)(CBrCC)(O)2	C(SC[6a]OO)(CH3)2(Br)	C(CBrCS)(H)3	S(C[6a]C[6a]2)(CBrCC)(O)2	110.1850	2.572	2	110.1850	6.618	2	110.1850	6.618	2	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:O-1:	C(SC[5a]OO)(CH3)2(H)	C(CCHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCCH)(O)2	C(SC[5a]OO)(CH3)2(H)	C(CCHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCCH)(O)2	109.9136	1.251	8	109.9136	1.564	8	109.9136	1.564	8	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	108.8283	2.260	3	108.8283	5.107	3	109.1466	4.222	8	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CH3)2(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CH3)2(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	109.9005	2.042	4	109.9005	4.171	4	109.1466	4.222	8	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)2	107.0860	0.000	1	107.0860	0.000	1	109.1466	4.222	8	110.0115	2.807	24	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	3:4:2:1:	C[5]-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:O-1:	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	C(CC[5]HS)(H)3	S(C[6a]C[6a]2)(CC[5]CH)(NC)(O)	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	C(CC[5]HS)(H)3	S(C[6a]C[6a]2)(CC[5]CH)(NC)(O)	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	4:3:1:1:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:O-1:	C(CCCH)(SNOO)(CH3)(H)	C(CCHS)(H)3	S(CCCH)(NCH)(O)2	C(CCCH)(SNOO)(CH3)(H)	C(CCHS)(H)3	S(CCCH)(NCH)(O)2	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(H)3	S(CCCH)(CC3)(O)2	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(H)3	S(CCCH)(CC3)(O)2	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:2:1:1:	4:4:1:1:	C-4:S-4:S-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CHHO)(SCOO)2(H)	C(CHSS)(OC)(H)2	S(CCHH)(CCHS)(O)2	C(CHHO)(SCOO)2(H)	C(CHSS)(OC)(H)2	S(CCHH)(CCHS)(O)2	109.3585	0.623	2	109.3585	0.388	2	109.3585	0.388	2	109.3585	0.388	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:2:4:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-4:Se-2:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	S(C[6a]C[6a]2)(CCCH)(O)2	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHS)(CCH)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHS)(CCH)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	106.5000	0.257	2	106.5000	0.066	2	106.5000	0.066	2	109.3990	8.741	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	S-4:S-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCH)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCH)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	113.3015	1.879	2	113.3015	3.530	2	110.3653	7.741	6	109.3990	8.741	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	S-4:S-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCN)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCN)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	108.8972	1.762	4	108.8972	3.105	4	110.3653	7.741	6	109.3990	8.741	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	110.2033	1.657	3	110.2033	2.745	3	111.1722	3.134	5	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	112.6255	0.084	2	112.6255	0.007	2	111.1722	3.134	5	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C(CC[5]HH)(CC[5]HS)(H)2	S(C[6a]C[6a]2)(CC[5]CH)(O)2	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C(CC[5]HH)(CC[5]HS)(H)2	S(C[6a]C[6a]2)(CC[5]CH)(O)2	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	C(CC[6]HS)(CC3)(H)2	S(C[6a]C[6a]2)(CC[6]CH)(O)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	C(CC[6]HS)(CC3)(H)2	S(C[6a]C[6a]2)(CC[6]CH)(O)2	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHI)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHI)(CCHS)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	109.7645	3.361	2	109.7645	11.296	2	109.1370	6.829	3	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CCHS)(CH3)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CCHS)(CH3)(H)2	S(C[6a]C[6a]2)(CCCH)(O)2	107.8820	0.000	1	107.8820	0.000	1	109.1370	6.829	3	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	S-4:S-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	111.8645	2.497	2	111.8645	6.234	2	110.2005	9.152	4	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	S-4:S-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	108.5365	3.186	2	108.5365	10.148	2	110.2005	9.152	4	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	S-4:S-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2C)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2C)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	111.6315	3.070	2	111.6315	9.422	2	110.7777	11.254	4	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	S-4:S-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2H)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2H)(CHSS)(H)2	S(C[6a]C[6a]2)(CCHS)(O)2	109.9240	4.629	2	109.9240	21.425	2	110.7777	11.254	4	110.4439	5.753	18	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:S-4:S-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-1:O-1:	C(CCHH)(SCOO)2(H)	C(CHSS)2(H)2	S(CCHS)(CF3)(O)2	C(CCHH)(SCOO)2(H)	C(CHSS)2(H)2	S(CCHS)(CF3)(O)2	109.0242	2.273	8	109.0242	5.169	8	109.0242	5.169	8	109.0242	5.169	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:S-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-1:O-1:	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(CC3)(NHS)(H)	S(CCCH)(CC3)(O)2	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(CC3)(NHS)(H)	S(CCCH)(CC3)(O)2	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C-4:S-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(CCHS)(CH3)2(H)	S(C[6a]C[6a]2)(CCCH)(O)2	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(CCHS)(CH3)2(H)	S(C[6a]C[6a]2)(CCCH)(O)2	114.0550	0.000	1	114.0550	0.000	1	114.0550	0.000	1	114.0550	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:S-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:O-1:O-1:	C(CCCH)(SNOO)(CH3)(H)	C(CCHH)(CCHS)(CH3)(H)	S(CCCH)(NCH)(O)2	C(CCCH)(SNOO)(CH3)(H)	C(CCHH)(CCHS)(CH3)(H)	S(CCCH)(NCH)(O)2	114.8760	0.000	1	114.8760	0.000	1	114.8760	0.000	1	114.8760	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:2:	3:4:3:1:	3:4:1:1:	C-4:S-4:C-4:C-2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	S(C[6a]C[6a]2)(CC3)(O)2	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	S(C[6a]C[6a]2)(CC3)(O)2	110.5690	0.164	3	110.5690	0.027	3	110.5690	0.027	3	110.5690	0.027	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:2:	4:1:1:1:	3:4:1:1:	C-4:S-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	104.6630	0.553	3	104.6630	0.305	3	104.6630	0.305	3	104.6630	0.305	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	108.1130	4.423	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:O-1:	C(SN[5]OO)(CH3)2(CHH)	C(CCCS)(H)3	S(N[5]C[5]2)(CC3)(O)2	C(SN[5]OO)(CH3)2(CHH)	C(CCCS)(H)3	S(N[5]C[5]2)(CC3)(O)2	107.3155	3.181	2	107.3155	10.121	2	107.3155	10.121	2	108.1130	4.423	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCNS)(H)3	S(C[6a]C[6a]2)(CCCN)(O)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCNS)(H)3	S(C[6a]C[6a]2)(CCCN)(O)2	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	108.1130	4.423	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:3:1:1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:O-1:	C(SNOO)(CH3)2(CNO)	C(CCCS)(H)3	S(CC3)(NCH)(O)2	C(SNOO)(CH3)2(CNO)	C(CCCS)(H)3	S(CC3)(NCH)(O)2	107.5965	0.641	2	107.5965	0.411	2	107.5965	0.411	2	107.5965	0.411	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCHH)(CCNS)(H)2	S(C[6a]C[6a]2)(CCCN)(O)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCHH)(CCNS)(H)2	S(C[6a]C[6a]2)(CCCN)(O)2	105.5990	0.000	1	105.5990	0.000	1	108.0763	15.792	3	108.0763	15.792	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(CCNS)(H)2	S(C[6a]C[6a]2)(CCCN)(O)2	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(CCNS)(H)2	S(C[6a]C[6a]2)(CCCN)(O)2	109.3150	4.731	2	109.3150	22.378	2	108.0763	15.792	3	108.0763	15.792	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:4:4:1:	3:4:1:1:	S-4:C-4:C-4:C-3:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCS)(CH3)2(H)	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCS)(CH3)2(H)	S(C[6a]C[6a]2)(CC3)(O)2	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C-4:S-4:S-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CC[5]SS)(H)2	S(C[6a]C[6a]2)(CC[5]CS)(O)2	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CC[5]SS)(H)2	S(C[6a]C[6a]2)(CC[5]CS)(O)2	109.2926	1.842	8	109.2926	3.391	8	109.2926	3.391	8	109.2926	3.391	8	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	2:4:1:1:	C-4:C-4:C-4:S-4:	C-4:H-1:H-1:H-1:	O-2:C-4:O-1:O-1:	C(CH3)3(SO3)	C(CCCS)(H)3	S(OC[6])(CC3)(O)2	C(CH3)3(SO3)	C(CCCS)(H)3	S(OC[6])(CC3)(O)2	107.8400	1.574	3	107.8400	2.477	3	107.8400	2.477	3	107.5432	1.959	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	2:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-2:C-4:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[5])(CC3)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[5])(CC3)(O)2	107.4820	1.528	3	107.4820	2.336	3	107.4319	2.039	8	107.5432	1.959	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	2:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-2:C-4:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[6])(CC3)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[6])(CC3)(O)2	107.4018	1.549	5	107.4018	2.398	5	107.4319	2.039	8	107.5432	1.959	11	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	2:4:4:4:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SCCO)(CH3)3	C(CCCS)(H)3	S(OC[6])(CC3)(CH3)2	C(SCCO)(CH3)3	C(CCCS)(H)3	S(OC[6])(CC3)(CH3)2	110.0476	0.771	9	110.0476	0.594	9	110.0476	0.594	9	110.0476	0.594	9	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:2:4:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-2:C-4:O-1:	C(SC[6a]NO)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)(NN[6a])(CC3)(O)	C(SC[6a]NO)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)(NN[6a])(CC3)(O)	107.8670	2.948	6	107.8670	8.693	6	107.8670	8.693	6	107.8670	8.693	6	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:3:4:2:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(SC[6a]2O)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)2(CC3)(OC)	C(SC[6a]2O)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)2(CC3)(OC)	109.8093	2.237	3	109.8093	5.006	3	109.8093	5.006	3	109.8093	5.006	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:S-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]2S)(SC[6a]OO)(CH3)2	C(CCPS)(H)3	S(C[6a]C[6a]2)(CCCP)(O)2	C(PC[6a]2S)(SC[6a]OO)(CH3)2	C(CCPS)(H)3	S(C[6a]C[6a]2)(CCCP)(O)2	108.6460	2.168	2	108.6460	4.700	2	108.6460	4.700	2	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	107.1910	0.000	1	107.1910	0.000	1	107.6575	3.406	11	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	106.5465	1.776	2	106.5465	3.153	2	107.6575	3.406	11	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)2	107.9935	1.976	8	107.9935	3.903	8	107.6575	3.406	11	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[5]C)(CC3)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[5]C)(CC3)(O)2	108.2697	2.517	3	108.2697	6.335	3	107.9458	2.873	24	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[5]H)(CC3)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[5]H)(CC3)(O)2	107.9057	1.691	15	107.9057	2.861	15	107.9458	2.873	24	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[6]H)(CC3)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(NC[6]H)(CC3)(O)2	107.8840	1.612	6	107.8840	2.599	6	107.9458	2.873	24	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:O-1:O-1:	C(SN[3]OO)(CH3)3	C(CCCS)(H)3	S(N[3]C[3]2)(CC3)(O)2	C(SN[3]OO)(CH3)3	C(CCCS)(H)3	S(N[3]C[3]2)(CC3)(O)2	107.8933	1.771	9	107.8933	3.138	9	107.8933	3.138	9	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:O-1:O-1:	C(SN[4]OO)(CH3)3	C(CCCS)(H)3	S(N[4]C[4]2)(CC3)(O)2	C(SN[4]OO)(CH3)3	C(CCCS)(H)3	S(N[4]C[4]2)(CC3)(O)2	108.5033	0.819	3	108.5033	0.670	3	108.5033	0.670	3	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:O-1:	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	S(N[5]C[5,5]C[5])(CC3)(O)2	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	S(N[5]C[5,5]C[5])(CC3)(O)2	108.0426	2.251	12	108.0426	5.069	12	107.9879	4.151	27	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:O-1:	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	S(N[5]C[5,6]C[5])(CC3)(O)2	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	S(N[5]C[5,6]C[5])(CC3)(O)2	108.0713	2.717	3	108.0713	7.380	3	107.9879	4.151	27	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:O-1:	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	S(N[5]C[5]2)(CC3)(O)2	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	S(N[5]C[5]2)(CC3)(O)2	107.9122	1.841	12	107.9122	3.390	12	107.9879	4.151	27	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:O-1:O-1:	C(SN[6]OO)(CH3)3	C(CCCS)(H)3	S(N[6]C[6,6]C[6])(CC3)(O)2	C(SN[6]OO)(CH3)3	C(CCCS)(H)3	S(N[6]C[6,6]C[6])(CC3)(O)2	107.9170	1.694	6	107.9170	2.869	6	107.8539	3.696	9	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:O-1:O-1:	C(SN[6]OO)(CH3)3	C(CCCS)(H)3	S(N[6]C[6,6a]C[6])(CC3)(O)2	C(SN[6]OO)(CH3)3	C(CCCS)(H)3	S(N[6]C[6,6a]C[6])(CC3)(O)2	107.7277	2.753	3	107.7277	7.577	3	107.8539	3.696	9	107.9427	3.235	85	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-4:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHN)(CH3)2(SO3)	C(CCCS)(H)3	S(CC3)(O)3	C(CHHN)(CH3)2(SO3)	C(CCCS)(H)3	S(CC3)(O)3	107.6928	1.067	4	107.6928	1.139	4	107.6928	1.139	4	107.6928	1.139	4	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:2:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-2:O-1:O-1:	C(SCOO)(CH3)3	C(CCCS)(H)3	S(CC3)(CC)(O)2	C(SCOO)(CH3)3	C(CCCS)(H)3	S(CC3)(CC)(O)2	107.2720	2.459	3	107.2720	6.046	3	107.2720	6.046	3	107.5737	2.822	15	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:2:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(CC3)(NC)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(CC3)(NC)(O)2	107.6492	1.569	12	107.6492	2.461	12	107.6492	2.461	12	107.5737	2.822	15	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:3:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(CC3)(NCH)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(CC3)(NCH)(O)2	107.8816	1.497	54	107.8816	2.241	54	107.8696	2.206	56	107.8696	2.206	56	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:3:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:O-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	S(CC3)(NHH)(O)2	C(SNOO)(CH3)3	C(CCCS)(H)3	S(CC3)(NHH)(O)2	107.5445	1.537	2	107.5445	2.361	2	107.8696	2.206	56	107.8696	2.206	56	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:4:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(SCOO)(CH3)3	C(CCCS)(H)3	S(CCCH)(CC3)(O)2	C(SCOO)(CH3)3	C(CCCS)(H)3	S(CCCH)(CC3)(O)2	108.4650	3.630	3	108.4650	13.174	3	108.4650	13.174	3	108.4650	13.174	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:4:4:2:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SCCO)(CH3)3	C(CCCS)(H)3	S(CC3)(CH3)2(OC)	C(SCCO)(CH3)3	C(CCCS)(H)3	S(CC3)(CH3)2(OC)	109.9767	0.981	3	109.9767	0.962	3	109.9767	0.962	3	109.9767	0.962	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:1:1:1:	4:4:4:3:	C-4:C-4:C-4:S-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)3(SC3)	C(CCCS)(H)3	S(CC3)(CH3)2(CCC)	C(CH3)3(SC3)	C(CCCS)(H)3	S(CC3)(CH3)2(CCC)	110.1393	0.875	3	110.1393	0.765	3	110.1393	0.765	3	110.1393	0.765	3	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CCHH)(H)2	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CCHH)(H)2	S(C[6a]C[6a]2)(CC3)(O)2	111.0300	0.000	1	111.0300	0.000	1	107.2855	28.043	2	107.2855	28.043	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CHHO)(H)2	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CHHO)(H)2	S(C[6a]C[6a]2)(CC3)(O)2	103.5410	0.000	1	103.5410	0.000	1	107.2855	28.043	2	107.2855	28.043	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-4:	C-4:N-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CHHN)(CH3)2(SO3)	C(CCCS)(NCCH)(H)2	S(CC3)(O)3	C(CHHN)(CH3)2(SO3)	C(CCCS)(NCCH)(H)2	S(CC3)(O)3	110.5745	2.409	2	110.5745	5.804	2	110.5745	5.804	2	110.5745	5.804	2	110.7782	9.980	680	110.7782	9.980	680
490	490	952	0:SP3_SP3_SP3	C	C	S	4:4:4:4:	4:4:4:1:	3:4:1:1:	S-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	S(C[6a]C[6a]2)(CC3)(O)2	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	S(C[6a]C[6a]2)(CC3)(O)2	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	110.7782	9.980	680	110.7782	9.980	680
490	490	953	0:SP3_SP-NON_SP3	C	C	I	2:4:1:1:	2:4:1:1:	3:4:	I-2:C-4:F-1:F-1:	O-2:C-4:F-1:F-1:	C[6a]-3:C-4:	C(IC[6a])(CFFO)(F)2	C(OC[6a])(CFFI)(F)2	I(C[6a]C[6a]2)(CCFF)	C(IC[6a])(CFFO)(F)2	C(OC[6a])(CFFI)(F)2	I(C[6a]C[6a]2)(CCFF)	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	112.1165	2.440	2	112.1165	2.440	2
490	490	953	0:SP3_SP-NON_SP3	C	C	I	2:4:1:1:	4:4:1:1:	3:4:	I-2:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:	C(IC[6a])(CCFF)(F)2	C(CFFI)(CF3)(F)2	I(C[6a]C[6a]2)(CCFF)	C(IC[6a])(CCFF)(F)2	C(CFFI)(CF3)(F)2	I(C[6a]C[6a]2)(CCFF)	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	112.1165	2.440	2	112.1165	2.440	2
490	490	955	0:SP3_SP3_SP3	C	C	P[5,5]	4:4:4:4:	4:1:1:1:	4:4:4:1:	P[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:S-1:	C(P[5,5]C[5,5,6]2S)(CH3)3	C(CP[5,5]CC)(H)3	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC3)(S)	C(P[5,5]C[5,5,6]2S)(CH3)3	C(CP[5,5]CC)(H)3	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC3)(S){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	109.9407	3.190	3	109.9407	10.176	3	109.9407	10.176	3	109.9407	10.176	3	109.9407	10.176	3	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:1:1:1:	3:2:4:1:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:O-1:	C(P[5]N[5]O[5]O)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O)	C(P[5]N[5]O[5]O)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O){2|C<3>,2|H<1>}	111.6423	0.834	3	111.6423	0.695	3	111.6423	0.695	3	111.6423	0.695	3	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:1:1:1:	4:2:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:Ge[5]-2:C-4:C-4:	C(P[5]Ge[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](C[5]C[5]HH)(Ge[5]P[5])(CCHH)2	C(P[5]Ge[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](C[5]C[5]HH)(Ge[5]P[5])(CCHH)2{2|C<4>,2|H<1>}	113.1268	1.742	4	113.1268	3.035	4	113.1268	3.035	4	113.1268	3.035	4	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:P[5]-3:C-4:C-4:	C(P[5]C[5]P[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](C[5]C[5]HH)(P[5]P[5]C)(CCHH)2	C(P[5]C[5]P[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](C[5]C[5]HH)(P[5]P[5]C)(CCHH)2{2|C<4>,2|H<1>}	113.0182	1.311	8	113.0182	1.718	8	113.0182	1.718	8	113.0182	1.718	8	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:1:1:1:	6:4:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[5]-6:C[5]-4:C-4:C-4:	C(P[5]Si[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2	C(P[5]Si[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	114.1660	0.962	2	114.1660	0.925	2	113.8162	0.801	4	113.8162	0.801	4	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:1:1:1:	6:4:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[5]-6:C[5]-4:C-4:C-4:	C(P[5]Si[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2	C(P[5]Si[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	113.4665	0.995	2	113.4665	0.990	2	113.8162	0.801	4	113.8162	0.801	4	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:1:1:1:	6:6:4:1:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:C-4:Se-1:	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(CCHH)(Se)	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(CCHH)(Se){10|B<6>,8|H<1>}	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:1:1:1:	7:4:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Nb[5]-7:C[5]-4:C-4:C-4:	C(P[5]Nb[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](Nb[5]P[5]Cl3OP)(C[5]C[5]HH)(CCHH)2	C(P[5]Nb[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	P[5](Nb[5]P[5]Cl3OP)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	115.0710	0.289	4	115.0710	0.083	4	115.0710	0.083	4	115.0710	0.083	4	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:2:1:1:	3:3:3:4:	P[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	C(CP[5]HH)(OH)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CCHH)	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	C(CP[5]HH)(OH)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CCHH){4|H<1>,6|C<3>}	112.7235	0.786	2	112.7235	0.617	2	112.7235	0.617	2	112.7235	0.617	2	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:4:1:1:	3:3:4:1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-1:	C(P[5]C[5,6a]2O)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(O)	C(P[5]C[5,6a]2O)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(O){2|H<1>,4|C<3>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:B-4:	C(P[5]C[5,6a]2B)(CCHH)(H)2	C(CP[5]HH)(CCHN)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(BH3)	C(P[5]C[5,6a]2B)(CCHH)(H)2	C(CP[5]HH)(CCHN)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(BH3){2|H<1>,4|C<3>}	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:4:1:1:	4:3:4:4:	P[5]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B[5]-4:C[6a]-3:C[5]-4:C-4:	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	C(BC[6a]2O)(CP[5]HH)(H)2	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	C(BC[6a]2O)(CP[5]HH)(H)2	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	115.5688	3.245	5	115.5688	10.533	5	115.5688	10.533	5	115.6942	8.520	6	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:4:1:1:	4:3:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5]-4:C[6a]-3:C[5]-4:C-4:	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){6|C<3>,6|H<1>}	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	115.6942	8.520	6	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:4:1:1:	4:4:4:1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:Se-1:	C(P[5]C[5]2Se)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	P[5](C[5]C[5]CH)2(CCHH)(Se)	C(P[5]C[5]2Se)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	P[5](C[5]C[5]CH)2(CCHH)(Se){4|H<1>}	114.7170	0.641	2	114.7170	0.410	2	114.7170	0.410	2	114.7170	0.410	2	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:1:1:	4:4:1:1:	4:4:4:4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5]-4:C[5]-4:C-4:C-4:	C(P[5]B[5]C[5]C)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	P[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH)(CC3)	C(P[5]B[5]C[5]C)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	P[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH)(CC3){4|C<3>,4|H<1>}	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:2:1:	4:4:1:1:	3:3:4:1:	P[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:O-1:	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CP[5]HO)(CCCH)(H)2	P[5](N[5]C[5,6]C)2(CCHO)(O)	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CP[5]HO)(CCCH)(H)2	P[5](N[5]C[5,6]C)2(CCHO)(O){2|C<4>,2|H<1>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	2:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-2:P[5]-2:C-4:C-4:	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](N[5]P[5])(P[5]P[5])(CCCH)2	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](N[5]P[5])(P[5]P[5])(CCCH)2{1|P<3>,2|C<4>}	112.2843	1.490	8	112.2843	2.220	8	112.2843	2.220	8	111.7831	1.785	24	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	2:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	S[5]-2:N[5]-2:C-4:C-4:	C(P[5]N[5]S[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](S[5]In[5])(N[5]P[5])(CCCH)2	C(P[5]N[5]S[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](S[5]In[5])(N[5]P[5])(CCCH)2{1|Cl<1>,1|P<4>,2|C<4>}	111.6561	1.001	8	111.6561	1.002	8	111.6561	1.002	8	111.7831	1.785	24	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	2:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Se[5]-2:N[5]-2:C-4:C-4:	C(P[5]Se[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Se[5]Se[5])(N[5]P[5])(CCCH)2	C(P[5]Se[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Se[5]Se[5])(N[5]P[5])(CCCH)2{2|C<4>}	111.4090	1.475	8	111.4090	2.177	8	111.4090	2.177	8	111.7831	1.785	24	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:As[5]-2:C-4:C-4:	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(CCCH)2	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(CCCH)2{1|H<1>,3|C<3>}	110.8754	2.181	8	110.8754	4.757	8	110.8754	4.757	8	111.8351	3.927	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:C-4:	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6])(CCCH)2	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6])(CCCH)2{1|H<1>,3|C<3>}	111.1080	0.954	4	111.1080	0.910	4	111.1080	0.910	4	111.8351	3.927	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-2:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a])(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a])(CCCH)2{1|H<1>,3|C<3>}	112.0168	1.293	4	112.0168	1.672	4	112.0168	1.672	4	111.8351	3.927	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5]C[5]C)(N[5]C[5])(CCCH)2	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5]C[5]C)(N[5]C[5])(CCCH)2{3|C<3>}	111.5665	2.143	4	111.5665	4.591	4	111.5665	4.591	4	111.8351	3.927	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-3:N[5]-2:C-4:C-4:	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](P[5]P[5]2)(N[5]P[5])(CCCH)2	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](P[5]P[5]2)(N[5]P[5])(CCCH)2{1|P<2>,1|P<4>,2|C<4>}	113.2018	1.941	8	113.2018	3.766	8	113.2018	3.766	8	111.8351	3.927	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:2:4:	P[5]-4:C-4:C-4:Se-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C(P[5]C[5,6a]C[6a]O[5])(CH3)2(Se)	C(CP[5]SeC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CSeCC)	C(P[5]C[5,6a]C[6a]O[5])(CH3)2(Se)	C(CP[5]SeC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CSeCC){2|C<4>,3|H<1>,4|C<3>}	116.0355	0.186	2	116.0355	0.035	2	116.0355	0.035	2	116.0355	0.035	2	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-1:	C(P[5]C[5,6a]2O)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(O)	C(P[5]C[5,6a]2O)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(O){2|H<1>,4|C<3>}	112.2063	1.674	4	112.2063	2.802	4	112.2063	2.802	4	111.7663	1.952	10	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:S-1:	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)(H)3	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(CCCH)(S)	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)(H)3	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(CCCH)(S){1|P<4>,2|C<4>,3|C<3>}	111.4730	1.255	6	111.4730	1.575	6	111.4730	1.575	6	111.7663	1.952	10	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5a]-3:N[5]-3:C-4:C-4:	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,5a]N[5,5,5a]C[5a])(N[5]In[5,5]C[6a])(CCCH)2	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,5a]N[5,5,5a]C[5a])(N[5]In[5,5]C[6a])(CCCH)2{2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	111.9211	2.118	23	111.9211	4.488	23	111.9211	4.488	23	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:As[5]-3:C-4:C-4:	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)2{1|H<1>,5|C<3>}	111.7430	1.409	4	111.7430	1.985	4	111.7430	1.985	4	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:B[5]-3:C-4:C-4:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6])(CCCH)2	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6])(CCCH)2{2|C<4>,2|H<1>,3|C<3>}	110.9495	0.827	4	110.9495	0.684	4	110.9153	4.467	12	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:B[5]-3:C-4:C-4:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a])(CCCH)2{1|H<1>,5|C<3>}	110.5097	0.545	4	110.5097	0.297	4	110.9153	4.467	12	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:B[5]-3:C-4:C-4:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]N)(CCCH)2	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]N)(CCCH)2{1|H<1>,3|C<3>}	111.2865	3.872	4	111.2865	14.994	4	110.9153	4.467	12	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Cr<6>,1|H<1>,4|C<3>}	111.4390	2.683	4	111.4948	3.614	28	111.4948	3.614	28	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Hf<6>,1|H<1>,4|C<3>}	111.6808	3.141	4	111.4948	3.614	28	111.4948	3.614	28	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Mo<6>,1|H<1>,4|C<3>}	111.4285	2.299	8	111.4948	3.614	28	111.4948	3.614	28	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Pt<4>,1|H<1>,4|C<3>}	111.1647	0.640	4	111.4948	3.614	28	111.4948	3.614	28	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Rh<8>,1|H<1>,4|C<3>}	111.7020	0.944	4	111.4948	3.614	28	111.4948	3.614	28	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Ru<9>,1|H<1>,4|C<3>}	111.6200	1.241	4	111.4948	3.614	28	111.4948	3.614	28	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-3:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(CCCH)2{1|H<1>,5|C<3>}	111.8503	1.564	4	111.8503	2.445	4	111.1937	3.398	8	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-3:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]Te)(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]Te)(CCCH)2{1|H<1>,3|C<3>}	110.5373	2.082	4	110.5373	4.334	4	111.1937	3.398	8	111.5139	3.843	75	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:B[5,5]-4:C-4:C-4:	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5,5]C[5,6a]3)(CCCH)2	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5,5]C[5,6a]3)(CCCH)2{1|H<1>,7|C<3>}	112.0765	1.270	4	112.0765	1.612	4	112.0765	1.612	4	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(CCCH)2	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(CCCH)2{1|H<1>,7|C<3>}	114.8935	0.817	4	114.8935	0.667	4	113.0627	5.617	12	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2{1|H<1>,3|C<3>}	112.8805	3.184	4	112.8805	10.137	4	113.0627	5.617	12	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]FF)(CCCH)2	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]FF)(CCCH)2{1|H<1>,3|C<3>}	111.4140	1.287	4	111.4140	1.655	4	113.0627	5.617	12	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]Mo)(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]Mo)(CCCH)2{1|H<1>,5|C<3>}	112.4675	1.872	4	112.4675	3.505	4	111.4515	3.185	24	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]OS)(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]OS)(CCCH)2{1|H<1>,3|C<3>}	111.1257	2.060	4	111.1257	4.243	4	111.4515	3.185	24	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]SS)(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]SS)(CCCH)2{1|H<1>,3|C<3>}	111.3144	1.916	8	111.3144	3.670	8	111.4515	3.185	24	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]Se2)(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]Se2)(CCCH)2{1|H<1>,3|C<3>}	111.0025	1.927	4	111.0025	3.713	4	111.4515	3.185	24	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C-4:C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]SeO)(CCCH)2	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]SeO)(CCCH)2{1|H<1>,3|C<3>}	111.4843	1.600	4	111.4843	2.560	4	111.4515	3.185	24	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CCCH)2	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CCCH)2{2|H<1>,4|C<3>}	113.7417	1.722	4	113.7417	2.966	4	113.7417	2.966	4	112.1559	4.201	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	4:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-4:N[5]-2:C-4:C-4:	C(P[5]B[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](B[5]C[5]HH)(N[5]P[5])(CCCH)2	C(P[5]B[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](B[5]C[5]HH)(N[5]P[5])(CCCH)2{3|C<3>}	111.0930	1.218	8	111.0930	1.483	8	111.0930	1.483	8	111.6283	1.891	24	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	4:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:Se[5]-2:C-4:C-4:	C(P[5]Se[5]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5]P[5]HH)(Se[5]Se[5])(CCCH)2	C(P[5]Se[5]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5]P[5]HH)(Se[5]Se[5])(CCCH)2{2|C<4>}	111.5499	1.505	8	111.5499	2.265	8	111.5499	2.265	8	111.6283	1.891	24	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	4:2:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	In[5]-4:N[5]-2:C-4:C-4:	C(P[5]In[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](In[5]S[5]ClP)(N[5]P[5])(CCCH)2	C(P[5]In[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](In[5]S[5]ClP)(N[5]P[5])(CCCH)2{2|C<4>}	112.2421	1.304	8	112.2421	1.702	8	112.2421	1.702	8	111.6283	1.891	24	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	4:3:4:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[4,5]-4:C[5]-3:C-4:O-1:	C(P[5]P[4,5]C[5]O)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](P[4,5]C[4,5]N[4]O)(C[5]C[6a]C[5])(CCCH)(O)	C(P[5]P[4,5]C[5]O)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](P[4,5]C[4,5]N[4]O)(C[5]C[6a]C[5])(CCCH)(O){2|C<4>,4|C<3>}	111.1670	1.392	2	111.1670	1.937	2	111.1670	1.937	2	111.1670	1.937	2	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CCCH)2	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CCCH)2{1|H<1>,7|C<3>}	114.4273	0.920	3	114.4273	0.846	3	114.4273	0.846	3	114.4273	0.846	3	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	5:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[5,5]-5:C[5,6a]-3:C-4:C-4:	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]CO)(C[5,6a]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]CO)(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,2|C<4>,4|C<3>}	110.8320	2.481	8	110.8320	6.157	8	110.8320	6.157	8	110.8320	6.157	8	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	6:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[5,5]-6:C[5,6]-3:C-4:C-4:	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]Cl3)(C[5,6]C[5,6]C[6])(CCCH)2	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]Cl3)(C[5,6]C[5,6]C[6])(CCCH)2{1|H<1>,2|C<4>,4|C<3>}	111.8723	2.646	4	111.8723	7.002	4	111.8723	7.002	4	111.9536	4.213	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	6:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[5,5]-6:C[5,6a]-3:C-4:C-4:	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]CCO)(C[5,6a]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]CCO)(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,2|C<4>,4|C<3>}	111.8236	2.282	8	111.8236	5.208	8	111.8625	4.831	16	111.9536	4.213	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	6:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[5,5]-6:C[5,6a]-3:C-4:C-4:	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]COO)(C[5,6a]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]COO)(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,2|C<4>,4|C<3>}	111.9014	2.267	8	111.9014	5.141	8	111.8625	4.831	16	111.9536	4.213	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	6:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[5,6]-6:C[5,6a]-3:C-4:C-4:	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,6]N[5,6]N[6]Cl2N)(C[5,6a]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,6]N[5,6]N[6]Cl2N)(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|P<4>,4|C<3>}	112.1766	1.679	8	112.1766	2.819	8	112.1766	2.819	8	111.9536	4.213	28	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	7:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[5,5]-7:C[5,6]-3:C-4:C-4:	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]Cl4)(C[5,6]C[5,6]C[6])(CCCH)2	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]Cl4)(C[5,6]C[5,6]C[6])(CCCH)2{1|C<2>,1|H<1>,2|C<4>,3|C<3>}	113.4625	1.313	4	113.4625	1.724	4	113.4625	1.724	4	113.1851	0.966	8	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:1:1:1:	7:3:4:4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[5,5]-7:C[5,6a]-3:C-4:C-4:	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]Cl4)(C[5,6a]C[5,6a]C[6a])(CCCH)2	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	P[5](Nb[5,5]N[5,5]P[5]Cl4)(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,2|C<4>,4|C<3>}	112.9078	0.571	4	112.9078	0.326	4	112.9078	0.326	4	113.1851	0.966	8	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:1:	4:4:1:1:	3:3:4:1:	P[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:S-1:	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(CCCH)(S)	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(CCCH)(S){1|P<4>,2|C<4>,3|C<3>}	113.9252	3.452	6	113.9252	11.917	6	113.9252	11.917	6	113.9252	11.917	6	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	2:2:4:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	S[5]-2:S[5]-2:C-4:S-1:	C(P[5]S[5]2S)(CH3)3	C(CP[5]CC)(H)3	P[5](S[5]C[5x3,6x5,20x6])2(CC3)(S)	C(P[5]S[5]2S)(CH3)3	C(CP[5]CC)(H)3	P[5](S[5]C[5x3,6x5,20x6])2(CC3)(S){6|B<6>}	108.7497	3.022	3	108.7497	9.130	3	108.7497	9.130	3	108.7497	9.130	3	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	2:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:C-4:	C(P[5]N[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]B[5,5a])(N[5]N[5])(CC3)2	C(P[5]N[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]B[5,5a])(N[5]N[5])(CC3)2{1|C<3>,2|O<2>}	109.5220	3.511	12	109.5220	12.324	12	109.5220	12.324	12	109.5835	9.967	15	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	2:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:B-4:C-4:	C(P[5]O[5]2B)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]C[5,6a])2(BC[6a]3)(CC3)	C(P[5]O[5]2B)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]C[5,6a])2(BC[6a]3)(CC3){2|C<3>}	109.8293	1.369	3	109.8293	1.875	3	109.8293	1.875	3	109.5835	9.967	15	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	2:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C(P[5]C[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]B[5,5a])(C[5]O[5]N)(CC3)2	C(P[5]C[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]B[5,5a])(C[5]O[5]N)(CC3)2{2|O<2>}	108.8995	2.980	12	108.8995	8.883	12	109.0532	9.648	18	109.0532	9.648	18	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	2:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C(P[5]C[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]B[5,5a])(C[5]S[5]S)(CC3)2	C(P[5]C[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](O[5]B[5,5a])(C[5]S[5]S)(CC3)2{2|O<2>}	109.3607	3.618	6	109.3607	13.089	6	109.0532	9.648	18	109.0532	9.648	18	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2{1|H<1>,4|C<3>}	109.4458	2.904	6	109.5945	8.732	21	109.5945	8.732	21	109.4285	9.395	35	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2{2|C<3>,3|H<1>}	109.8763	3.909	3	109.5945	8.732	21	109.5945	8.732	21	109.4285	9.395	35	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2{2|H<1>,3|C<3>}	109.5984	3.038	12	109.5945	8.732	21	109.5945	8.732	21	109.4285	9.395	35	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]N)(N[5]C[5])(CC3)2	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]N)(N[5]C[5])(CC3)2{1|C<4>,1|P<3>}	108.3374	3.900	5	108.3374	15.208	5	108.3374	15.208	5	109.4285	9.395	35	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5,6]-3:O[5]-2:C-4:C-4:	C(P[5]N[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](N[5,6]B[5a,6]N[5,6])(O[5]B[5,5a])(CC3)2	C(P[5]N[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](N[5,6]B[5a,6]N[5,6])(O[5]B[5,5a])(CC3)2{1|C<4>,5|O<2>}	109.9830	3.504	6	109.9830	12.281	6	109.9830	12.281	6	109.4285	9.395	35	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:B-4:C-4:	C(P[5]N[5]O[5]B)(CH3)3	C(CP[5]CC)(H)3	P[5](N[5]C[5,5]H)(O[5]C[5,5])(BH3)(CC3)	C(P[5]N[5]O[5]B)(CH3)3	C(CP[5]CC)(H)3	P[5](N[5]C[5,5]H)(O[5]C[5,5])(BH3)(CC3){1|C<3>,1|C<4>,2|H<1>}	108.9760	2.605	3	108.9760	6.785	3	108.9760	6.785	3	109.4285	9.395	35	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-3:P[5]-3:C[6a]-3:C-4:	C(P[5]C[6a]P[5]2)(CH3)3	C(CP[5]CC)(H)3	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)(CC3)	C(P[5]C[6a]P[5]2)(CH3)3	C(CP[5]CC)(H)3	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)(CC3){2|H<1>,8|C<3>}	108.7550	1.819	3	108.7550	3.309	3	108.7550	3.309	3	108.7550	3.309	3	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:3:4:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:O-1:	C(P[5]C[5,5a]C[5,6a]O)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(CC3)(O)	C(P[5]C[5,5a]C[5,6a]O)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(CC3)(O){1|H<1>,4|C<3>}	108.5723	1.056	3	108.5723	1.115	3	108.5723	1.115	3	108.5723	1.115	3	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C(P[5]C[5,6a]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])2(CC3)2	C(P[5]C[5,6a]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])2(CC3)2{2|H<1>,4|C<3>}	109.0851	2.603	12	109.0851	6.774	12	109.0851	6.774	12	109.3210	5.049	21	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-4:C-4:	C(P[5]C[5]P[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]N[5]C)(P[5]P[5]C)(CC3)(CH3)	C(P[5]C[5]P[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]N[5]C)(P[5]P[5]C)(CC3)(CH3){1|C<4>}	108.8737	1.563	3	108.8737	2.444	3	108.8737	2.444	3	109.3210	5.049	21	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-3:P[5]-3:C-4:C-4:	C(P[5]P[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](P[5]P[5]Co)2(CC3)2	C(P[5]P[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](P[5]P[5]Co)2(CC3)2	110.0167	1.866	6	110.0167	3.483	6	110.0167	3.483	6	109.3210	5.049	21	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-1:	C(P[5]C[5,6a]C[5]O)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CC3)(O)	C(P[5]C[5,6a]C[5]O)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CC3)(O){1|N<2>,1|O<2>,3|C<3>}	108.8910	2.036	3	108.8910	4.146	3	108.8790	2.872	6	108.8790	2.872	6	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-1:	C(P[5]C[5,6a]C[5]O)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC3)(O)	C(P[5]C[5,6a]C[5]O)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC3)(O){1|O<2>,2|C<3>}	108.8670	1.741	3	108.8670	3.033	3	108.8790	2.872	6	108.8790	2.872	6	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|Cl<1>,1|F<1>,3|C<3>}	109.6550	2.884	12	109.8078	7.131	59	109.8078	7.131	59	109.9011	7.007	77	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|F<1>,1|H<1>,3|C<3>}	109.7140	2.877	6	109.8078	7.131	59	109.8078	7.131	59	109.9011	7.007	77	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|F<1>,1|O<2>,3|C<3>}	109.8826	2.656	35	109.8078	7.131	59	109.8078	7.131	59	109.9011	7.007	77	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{2|F<1>,3|C<3>}	109.7705	2.840	6	109.8078	7.131	59	109.8078	7.131	59	109.9011	7.007	77	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[3,5,6]C)(C[5]C[3,5]HH)(CC3)2	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[3,5,6]C)(C[5]C[3,5]HH)(CC3)2{1|C<3>,2|C<4>}	109.9200	2.772	6	109.9200	7.682	6	109.8762	8.518	12	109.9011	7.007	77	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[6a]N[5])(C[5]B[5]HH)(CC3)2	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[6a]N[5])(C[5]B[5]HH)(CC3)2{4|C<3>}	109.8323	3.325	6	109.8323	11.053	6	109.8762	8.518	12	109.9011	7.007	77	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CC3)2	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CC3)2{2|H<1>,4|C<3>}	110.8682	1.956	6	110.8682	3.826	6	110.8682	3.826	6	109.9011	7.007	77	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:2:4:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Se[5]-2:C-4:Se-1:	C(P[5]Se[5]C[5]Se)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]P[5]HH)(Se[5]Se[5])(CC3)(Se)	C(P[5]Se[5]C[5]Se)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]P[5]HH)(Se[5]Se[5])(CC3)(Se){1|Se<1>,1|C<4>}	108.6683	1.735	6	108.6683	3.010	6	108.6683	3.010	6	108.6683	3.010	6	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:2:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C(P[5]C[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2	C(P[5]C[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2{1|O<1>,2|O<2>,3|C<3>}	110.1758	2.990	6	110.1758	8.941	6	110.1758	8.941	6	110.1758	8.941	6	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2{2|C<3>}	109.8107	3.333	12	109.8537	12.661	18	109.6125	10.571	30	109.9370	9.210	48	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2{3|C<3>}	109.9395	4.313	6	109.8537	12.661	18	109.6125	10.571	30	109.9370	9.210	48	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]O[5]N)(CC3)2	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]O[5]N)(CC3)2{2|C<3>}	109.2455	3.098	6	109.2455	9.599	6	109.6125	10.571	30	109.9370	9.210	48	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]O[5]O)(CC3)2	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]B[5]HH)(C[5]O[5]O)(CC3)2{2|C<3>}	109.2560	2.853	6	109.2560	8.142	6	109.6125	10.571	30	109.9370	9.210	48	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]CH)(N[5]B[5]Si)(CC3)2	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]CH)(N[5]B[5]Si)(CC3)2{2|C<3>,2|H<1>}	110.9072	2.736	6	110.9072	7.484	6	110.9214	6.305	12	109.9370	9.210	48	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CC3)2	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CC3)2{2|H<1>,6|C<3>}	110.9357	2.527	6	110.9357	6.387	6	110.9214	6.305	12	109.9370	9.210	48	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:C-4:	C(P[5]Ga[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](Ga[5]N[5,6]Cl2)(C[5]C[5,6]H)(CC3)2	C(P[5]Ga[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](Ga[5]N[5,6]Cl2)(C[5]C[5,6]H)(CC3)2{2|C<3>}	109.5908	2.878	6	109.5908	8.285	6	109.5908	8.285	6	109.9370	9.210	48	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:C-4:	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CC3)2	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CC3)2{6|C<3>}	110.6083	1.181	6	110.6083	1.394	6	110.4630	3.345	32	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:C-4:	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CC3)2	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CC3)2{2|C<3>}	110.7312	2.098	5	110.7312	4.400	5	110.4630	3.345	32	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:C-4:	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH)(CC3)	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH)(CC3){4|C<3>,4|H<1>}	110.1997	1.413	3	110.1997	1.997	3	110.4630	3.345	32	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:C-4:	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CC3)2	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CC3)2{2|C<4>,4|C<3>}	110.6298	1.716	6	110.6298	2.943	6	110.4630	3.345	32	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:C-4:	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]GaH)(CC3)2	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]GaH)(CC3)2{4|C<3>}	110.4450	2.937	6	110.4450	8.629	6	110.4630	3.345	32	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:C-4:	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]HH)(CC3)2	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]HH)(CC3)2{4|C<3>}	110.0770	1.762	6	110.0770	3.104	6	110.4630	3.345	32	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:B-4:C-4:	C(P[5]C[5]2B)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]2H)(C[5]C[5]HH)(BH3)(CC3)	C(P[5]C[5]2B)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]2H)(C[5]C[5]HH)(BH3)(CC3){1|C<4>,1|P<4>,5|H<1>}	109.7170	3.064	3	109.7170	9.388	3	109.5005	6.008	6	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:B-4:C-4:	C(P[5]C[5]2B)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]CH)(C[5]C[5]HH)(BH3)(CC3)	C(P[5]C[5]2B)(CH3)3	C(CP[5]CC)(H)3	P[5](C[5]C[5]CH)(C[5]C[5]HH)(BH3)(CC3){4|H<1>}	109.2840	2.343	3	109.2840	5.492	3	109.5005	6.008	6	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	955	0:SP3_SP3_SP3	C	C	P[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-4:C-4:C-4:	C(P[5]Si[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](Si[5]N[5]CoH)(C[5]Si[5]HH)(CC3)2	C(P[5]Si[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	P[5](Si[5]N[5]CoH)(C[5]Si[5]HH)(CC3)2{1|Si<4>,2|C<4>}	110.2025	2.985	6	110.2025	8.912	6	110.2025	8.912	6	110.2962	4.257	44	110.9669	7.171	585	110.9617	7.174	588
490	490	956	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:1:1:1:	3:4:1:	N-3:N-2:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(NC[6a])(CCl3)(H)	C(CHNN)(Cl)3	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)(NC[6a])(CCl3)(H)	C(CHNN)(Cl)3	N(C[6a]C[6a]2)(CCHN)(H)	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:2:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:S-2:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a])(CF3)(NCH)	C(CC[6a]NS)(F)3	N(CC[6a]CS)(COO)(H)	C(C[6a]C[6a]2)(SC[6a])(CF3)(NCH)	C(CC[6a]NS)(F)3	N(CC[6a]CS)(COO)(H)	106.1350	0.000	1	106.1350	0.000	1	106.1350	0.000	1	106.1350	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:3:4:	4:1:1:1:	4:3:1:	C[5a]-3:C[6a]-3:N-3:C-4:	C-4:H-1:H-1:H-1:	C-4:C[6a]-3:H-1:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C(CC[5a]C[6a]N)(H)3	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C(CC[5a]C[6a]N)(H)3	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	109.3613	0.366	3	109.3613	0.134	3	109.3613	0.134	3	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2)(CC[6a]CH)(H)	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2)(CC[6a]CH)(H)	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	106.3510	0.000	1	106.3510	0.000	1	108.9394	3.072	23	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.8142	1.939	10	108.8142	3.760	10	108.9394	3.072	23	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	109.0577	1.278	10	109.0577	1.632	10	108.9394	3.072	23	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.2680	2.919	2	110.2680	8.520	2	108.9394	3.072	23	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	N-3:N-3:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)2(CCl3)(H)	C(CHNN)(Cl)3	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)2(CCl3)(H)	C(CHNN)(Cl)3	N(C[6a]C[6a]2)(CCHN)(H)	110.1080	2.019	6	110.1080	4.077	6	110.1080	4.077	6	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	N[5]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C(CN[5]HN)(H)3	N(C[6a]C[6a]2)(CN[5]CH)(H)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C(CN[5]HN)(H)3	N(C[6a]C[6a]2)(CN[5]CH)(H)	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.1303	2.917	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	111.0023	0.016	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:P-3:	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C(CC[6a]HN)(H)3	N(P[5]O[5]2)(CC[6a]CH)(PC[6a]C)	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C(CC[6a]HN)(H)3	N(P[5]O[5]2)(CC[6a]CH)(PC[6a]C)	111.0750	0.007	2	111.0750	0.000	2	111.0750	0.000	2	111.0023	0.016	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[3]C[3]2)(CC[6a]CH)2	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[3]C[3]2)(CC[6a]CH)2	110.9751	1.165	7	110.9751	1.358	7	110.9751	1.358	7	111.1689	1.507	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	113.2180	0.000	1	113.2180	0.000	1	111.6210	2.270	3	111.1689	1.507	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	110.8225	0.845	2	110.8225	0.714	2	111.6210	2.270	3	111.1689	1.507	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(H)	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	110.8370	0.188	2	110.8370	0.035	2	111.0770	0.190	3	111.0770	0.190	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	111.5570	0.000	1	111.5570	0.000	1	111.0770	0.190	3	111.0770	0.190	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:P-4:C-4:	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C(CC[6a]HN)(H)3	N(P[5]O[5]2Rh)(PC[6a]RhC)(CC[6a]CH)	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C(CC[6a]HN)(H)3	N(P[5]O[5]2Rh)(PC[6a]RhC)(CC[6a]CH)	110.7070	1.167	2	110.7070	1.361	2	110.7070	1.361	2	110.7070	1.361	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:2:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	108.4642	6.831	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:2:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	108.4642	6.831	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:2:1:1:	3:4:1:	N-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)2(CHHO)(H)	C(CHNN)(OH)(H)2	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CHHO)(H)	C(CHNN)(OH)(H)2	N(C[5a]N[5a]S[5a])(CCHN)(H)	109.8635	3.340	2	109.8635	11.153	2	109.8635	11.153	2	108.4642	6.831	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:2:1:1:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CCO)(F)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CCO)(F)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.0815	0.062	2	108.0815	0.004	2	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.9960	0.000	1	108.9960	0.000	1	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.2290	0.000	1	110.2290	0.000	1	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.0660	0.503	2	113.0660	0.253	2	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.4977	0.713	3	109.4977	0.508	3	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	110.6230	0.000	1	110.6230	0.000	1	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.9370	0.000	1	108.9370	0.000	1	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.1210	0.000	1	110.1210	0.000	1	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.5600	0.000	1	108.5600	0.000	1	109.8657	2.719	13	109.9759	2.466	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:2:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.7720	0.000	1	109.7720	0.000	1	108.0013	2.477	3	108.0013	2.477	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:2:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	107.4700	0.000	1	107.4700	0.000	1	108.0013	2.477	3	108.0013	2.477	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:2:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OSi)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OSi)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	106.7620	0.000	1	106.7620	0.000	1	108.0013	2.477	3	108.0013	2.477	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:2:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:3:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(COO)2(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(COO)2(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:4:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	109.1330	2.167	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:3:4:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	109.1330	2.167	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CH3)(H)2	N(C[6a]C[6a]2)(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CH3)(H)2	N(C[6a]C[6a]2)(CC[5a]CH)(H)	108.9180	0.000	1	108.9180	0.000	1	109.7210	1.290	2	108.9601	1.279	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CCHO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CCHO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	110.5240	0.000	1	110.5240	0.000	1	109.7210	1.290	2	108.9601	1.279	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	108.8625	1.224	2	108.8625	1.498	2	108.8625	1.498	2	108.9601	1.279	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	107.6745	0.920	2	107.6745	0.846	2	108.6285	1.515	4	108.9601	1.279	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.4110	0.000	1	109.4110	0.000	1	108.6285	1.515	4	108.9601	1.279	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	109.7540	0.000	1	109.7540	0.000	1	108.6285	1.515	4	108.9601	1.279	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CC[5a]HN)(CCCH)(H)2	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CC[5a]HN)(CCCH)(H)2	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	111.8760	0.040	2	111.8760	0.002	2	111.8760	0.002	2	111.7387	0.306	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC3)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC3)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	112.7970	0.000	1	112.7970	0.000	1	111.6930	0.418	6	111.7387	0.306	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	111.1650	0.000	1	111.1650	0.000	1	111.6930	0.418	6	111.7387	0.306	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	111.4917	0.486	3	111.4917	0.236	3	111.6930	0.418	6	111.7387	0.306	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	111.7210	0.000	1	111.7210	0.000	1	111.6930	0.418	6	111.7387	0.306	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:2:1:	3:4:1:	N-3:N-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)2(CCHO)(H)	C(CHHO)(CHNN)(OH)(H)	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CCHO)(H)	C(CHHO)(CHNN)(OH)(H)	N(C[5a]N[5a]S[5a])(CCHN)(H)	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:3:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CCHH)(CCO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CCHH)(CCO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	110.3967	3.111	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:3:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.4145	0.076	2	111.4145	0.006	2	111.4145	0.006	2	110.3967	3.111	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:3:1:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:3:1:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	110.4005	0.030	2	110.4005	0.001	2	110.4005	0.001	2	110.4005	0.001	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:3:3:	3:4:2:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CCHH)(COO)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CCHH)(COO)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:1:	4:4:4:3:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:2:	4:2:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-2:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C(CC[6a]CN)(OS)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C(CC[6a]CN)(OS)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	3:4:4:1:	4:3:1:	C[6a]-3:C[6a]-3:C-4:N-3:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N(CC[6a]2C)(CC[6a]O)(H)	104.2580	0.000	1	104.2580	0.000	1	103.7693	0.821	3	103.7693	0.821	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	3:4:4:1:	4:3:1:	C[6a]-3:C[6a]-3:C-4:N-3:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	N(CC[6a]2C)(CC[6a]O)(H)	103.5250	1.133	2	103.5250	1.283	2	103.7693	0.821	3	103.7693	0.821	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	109.4180	0.000	1	109.4180	0.000	1	109.3993	0.119	3	109.3993	0.119	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	109.3900	0.488	2	109.3900	0.238	2	109.3993	0.119	3	109.3993	0.119	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(CH3)(NHS)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(CH3)(NHS)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(SC[6a]OO)(H)	109.9660	0.273	2	109.9660	0.074	2	109.9660	0.074	2	109.9660	0.074	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	4:1:1:1:	4:4:3:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)2(CH3)(NCC)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(CH3)(CNO)	C(C[6a]C[6a]2)2(CH3)(NCC)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(CH3)(CNO)	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	4:4:1:1:	4:3:1:	C[5a]-3:C[6a]-3:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	N(CC[5a]C[6a]C)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	N(CC[5a]C[6a]C)(CCO)(H)	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:3:	4:4:3:1:	3:4:1:	C[6a]-3:N-3:C-4:C-3:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C(CC[6a]CN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C(CC[6a]CN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:4:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	108.7647	1.370	3	108.7647	1.877	3	108.8380	4.748	6	108.8380	4.748	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:4:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	107.7270	0.000	1	107.7270	0.000	1	108.8380	4.748	6	108.8380	4.748	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:4:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	109.5035	4.225	2	109.5035	17.850	2	108.8380	4.748	6	108.8380	4.748	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:4:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	108.8537	0.420	3	108.8537	0.176	3	109.0295	0.241	4	109.0295	0.241	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:3:4:4:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	109.5570	0.000	1	109.5570	0.000	1	109.0295	0.241	4	109.0295	0.241	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(NC[6])(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(NC[6])(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)(H)	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	111.1775	4.467	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	111.3078	2.157	20	111.3078	4.652	20	111.3078	4.652	20	111.1775	4.467	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	111.1775	4.467	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2	112.9830	0.000	1	112.9830	0.000	1	112.8803	0.858	3	112.1262	7.147	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	112.8290	1.304	2	112.8290	1.700	2	112.8803	0.858	3	112.1262	7.147	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)2	110.9950	4.755	2	110.9950	22.606	2	110.9950	22.606	2	112.1262	7.147	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CHHO)(H)2	C(OP[6])(CHHN)(H)2	N(P[6]N[6]2O)(CCHH)(H)	C(NP[6]H)(CHHO)(H)2	C(OP[6])(CHHN)(H)2	N(P[6]N[6]2O)(CCHH)(H)	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	2:4:4:1:	3:4:4:	N-3:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHO)(H)2	C(OC[6])(CHHN)(CH3)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHO)(H)2	C(OC[6])(CHHN)(CH3)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:2:4:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-3:O-2:C-4:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(ON[5])(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(ON[5])(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	B[5a]-3:C[6a]-3:C-4:	C(NB[5a]C[6a])(CHHN)(H)2	C(NB[5a]C[6a])(CHHN)(H)2	N(B[5a]O[5a]2)(C[6a]C[6a]2)(CCHH)	C(NB[5a]C[6a])(CHHN)(H)2	C(NB[5a]C[6a])(CHHN)(H)2	N(B[5a]O[5a]2)(C[6a]C[6a]2)(CCHH)	112.4655	3.275	2	112.4655	10.723	2	112.4655	10.723	2	111.5398	4.637	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	109.3270	0.000	1	109.3270	0.000	1	110.9227	2.483	3	111.5398	4.637	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	112.4780	0.000	1	112.4780	0.000	1	110.9227	2.483	3	111.5398	4.637	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]Ni)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]Ni)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]Ni)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]Ni)(CCHH)	110.9630	0.000	1	110.9630	0.000	1	110.9227	2.483	3	111.5398	4.637	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.4040	0.000	1	110.4040	0.000	1	109.0655	3.583	2	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	107.7270	0.000	1	107.7270	0.000	1	109.0655	3.583	2	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	N(C[5]C[5]2)(CCHH)(H)	112.7910	0.287	2	112.7910	0.082	2	113.3105	0.662	4	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	N(C[5]N[5]S[5])(CCHH)(H)	113.8300	0.908	2	113.8300	0.824	2	113.3105	0.662	4	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CHHN)(H)2	C(NC[5a]H)(CHHN)(H)2	N(C[5a]N[5a,6a]N[5a])(CCHH)(H)	C(NC[5a]H)(CHHN)(H)2	C(NC[5a]H)(CHHN)(H)2	N(C[5a]N[5a,6a]N[5a])(CCHH)(H)	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	111.4720	1.158	2	111.4720	1.342	2	111.3798	0.607	4	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	110.8160	0.000	1	110.8160	0.000	1	111.3798	0.607	4	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]N[6]2)(CCHH)(H)	111.7590	0.000	1	111.7590	0.000	1	111.3798	0.607	4	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.7090	0.000	1	112.7090	0.000	1	112.8145	0.022	2	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.9200	0.000	1	112.9200	0.000	1	112.8145	0.022	2	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	111.9909	2.720	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:	C(NC[5a]N)(CHHN)(H)2	C(NC[5a]N)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	C(NC[5a]N)(CHHN)(H)2	C(NC[5a]N)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	111.0647	0.339	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:P-3:	C(NC[6a]P)(CHHN)(H)2	C(NC[6a]P)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(PCl2)	C(NC[6a]P)(CHHN)(H)2	C(NC[6a]P)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(PCl2)	111.1595	0.790	2	111.1595	0.624	2	111.1595	0.624	2	111.0647	0.339	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]N)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]N)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CHHN)(H)2	C(NC[6]C)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(CH3)	C(NC[6]C)(CHHN)(H)2	C(NC[6]C)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(CH3)	110.9740	0.000	1	110.9740	0.000	1	110.9740	0.000	1	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	113.3620	0.000	1	113.3620	0.000	1	113.4703	2.088	15	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	114.1573	1.655	8	114.1573	2.740	8	113.4703	2.088	15	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	112.5723	0.535	6	112.5723	0.286	6	113.4703	2.088	15	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	Si[5,5]-3:C-4:C-4:	C(NSi[5,5]C)(CHHN)(H)2	C(NSi[5]C)(CHHN)(H)2	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	C(NSi[5,5]C)(CHHN)(H)2	C(NSi[5]C)(CHHN)(H)2	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	115.4790	0.000	1	115.4790	0.000	1	115.4790	0.000	1	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	Si[5]-3:C-4:C-4:	C(NSi[5]C)(CHHN)(H)2	C(NSi[5,5]C)(CHHN)(H)2	N(Si[5]N[5]2)(CCHH)(CC3)	C(NSi[5]C)(CHHN)(H)2	C(NSi[5,5]C)(CHHN)(H)2	N(Si[5]N[5]2)(CCHH)(CC3)	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	N(C[6]C[5a,6]2)(CCHH)2	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	N(C[6]C[5a,6]2)(CCHH)2	114.8395	0.276	2	114.8395	0.076	2	114.8395	0.076	2	113.5437	2.301	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CHHN)(H)2	C(NP[6]H)(CHHN)(H)2	N(P[6]O[6]2S)(CCHH)(H)	C(NP[6]H)(CHHN)(H)2	C(NP[6]H)(CHHN)(H)2	N(P[6]O[6]2S)(CCHH)(H)	111.9435	0.439	2	111.9435	0.193	2	111.9435	0.193	2	111.9435	0.193	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:2:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(CHHN)(OC)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(CHHN)(OC)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	113.3920	0.000	1	113.3920	0.000	1	113.3920	0.000	1	112.6225	1.184	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:2:1:	3:4:4:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:	C(NC[6a]C[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C(NC[6a]C[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	112.6225	1.184	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:3:1:	3:3:4:	N-3:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHN)(H)2	C(NC[6a]H)(CHHN)(CCC)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C(NC[6a]H)(CHHN)(CCC)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	3:4:3:3:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:C-3:C-3:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCCN)(H)2	C(NC[6a]C)(CHHN)(CCO)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCCN)(H)2	C(NC[6a]C)(CHHN)(CCO)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:2:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:N-2:C-4:	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(NC[5])(CCHH)	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(NC[5])(CCHH)	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(NC[5]2)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,6a]N[5])2(CCHH)	C(NC[5]2)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,6a]N[5])2(CCHH)	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-3:C-4:	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:	C(NC[5a]C[6a])(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	112.4086	1.296	44	112.4086	1.681	44	112.4086	1.681	44	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	112.1520	0.000	1	112.1520	0.000	1	112.9356	0.620	10	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)2(CCHH)	113.0618	0.772	5	113.0618	0.596	5	112.9356	0.620	10	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	112.9737	0.913	4	112.9737	0.833	4	112.9356	0.620	10	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	112.9455	0.415	2	112.9455	0.172	2	112.9455	0.172	2	112.5395	1.428	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6]C[6,6a]C[6])(CCHH)(H)	113.1080	0.000	1	113.1080	0.000	1	113.1080	0.000	1	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a,6a]2)(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a,6a]2)(CCHH)(H)	110.7130	0.000	1	110.7130	0.000	1	112.6358	3.438	4	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	114.2240	0.000	2	114.2240	0.000	2	112.6358	3.438	4	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	111.3820	0.000	1	111.3820	0.000	1	112.6358	3.438	4	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CF3)(H)2	C(CHHN)(F)3	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C(CHHN)(F)3	N(C[6a]C[6a]2)(CCHH)(H)	114.3870	0.000	1	114.3870	0.000	1	112.2710	2.520	4	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CF3)(H)2	C(CHHN)(F)3	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C(CHHN)(F)3	N(C[6a]C[6a]N[6a])(CCHH)(H)	111.5657	0.892	3	111.5657	0.795	3	112.2710	2.520	4	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CFFH)(H)2	C(CHHN)(F)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CFFH)(H)2	C(CHHN)(F)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	114.4257	0.066	3	114.4257	0.004	3	114.4257	0.004	3	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,6a]N[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,6a]N[5])(CCHH)(H)	111.0490	0.000	1	111.0490	0.000	1	111.1527	1.141	3	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5]S[5])(CCHH)(H)	111.2045	1.505	2	111.2045	2.266	2	111.1527	1.141	3	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]2)(CCHH)(H)	111.6680	0.820	2	111.6680	0.673	2	110.7267	1.692	6	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]O[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]O[5a])(CCHH)(H)	109.4030	0.000	2	109.4030	0.000	2	110.7267	1.692	6	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]S[5a])(CCHH)(H)	112.1620	0.000	1	112.1620	0.000	1	110.7267	1.692	6	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]N[5a]S[5a])(CCHH)(H)	110.0560	0.000	1	110.0560	0.000	1	110.7267	1.692	6	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CCHH)(H)	113.3005	0.408	2	113.3005	0.166	2	112.1901	2.108	8	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]2)(CCHH)(H)	112.1424	1.430	5	112.1424	2.045	5	112.1901	2.108	8	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]O[6])(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]O[6])(CCHH)(H)	110.2080	0.000	1	110.2080	0.000	1	112.1901	2.108	8	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	112.6380	0.000	1	112.6380	0.000	1	111.5080	2.141	70	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(H)	111.4438	1.552	57	111.4438	2.407	57	111.5080	2.141	70	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)(H)	111.7188	0.993	12	111.7188	0.986	12	111.5080	2.141	70	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(H)2(O)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(H)2(O)	N(C[6a]C[6a]2)(CCHH)(H)	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	111.6712	2.357	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:2:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(NO)	112.9555	0.323	6	112.9555	0.105	6	112.9555	0.105	6	112.9555	0.105	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-3:	C(NB[5]C)(CH3)(H)2	C(CHHN)(H)3	N(B[5]O[5]2)(CCHH)(COP)	C(NB[5]C)(CH3)(H)2	C(CHHN)(H)3	N(B[5]O[5]2)(CCHH)(COP)	112.2830	0.000	1	112.2830	0.000	1	112.2830	0.000	1	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-3:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]N[6])(CCHH)(CIrC)	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]N[6])(CCHH)(CIrC)	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCH)	114.4225	0.572	2	114.4225	0.327	2	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCO)	110.4743	6.212	11	110.4743	38.585	11	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCS)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCS)	112.5060	2.353	3	112.5060	5.537	3	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CHH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CHH)	113.4360	0.000	1	113.4360	0.000	1	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CHN)	111.4260	0.000	1	111.4260	0.000	1	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CNN)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CNN)	113.8260	1.655	2	113.8260	2.738	2	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CNO)	112.8656	0.234	5	112.8656	0.055	5	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CNS)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CNS)	110.6860	0.000	1	110.6860	0.000	1	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CSS)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CSS)	112.1717	0.494	3	112.1717	0.244	3	111.9180	16.187	29	111.9480	15.122	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CBrHH)(H)2	C(CHHN)(Br)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CBrHH)(H)2	C(CHHN)(Br)(H)2	N(C[6a]C[6a]2)(CCHH)2	110.9003	3.049	3	110.9003	9.298	3	110.9003	9.298	3	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(C[6a]C[6a]2)(CCHH)2	111.2785	3.944	17	111.2785	15.558	17	111.2785	15.558	17	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-4:	C(NB[5]C)(CH3)(H)2	C(CHHN)(H)3	N(B[5]C[5,6a]C[5,5])(CCHH)2	C(NB[5]C)(CH3)(H)2	C(CHHN)(H)3	N(B[5]C[5,6a]C[5,5])(CCHH)2	112.5475	1.388	2	112.5475	1.927	2	112.5475	1.927	2	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:	C(NC[3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3]C[3]2)(CCHH)(CH3)	C(NC[3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3]C[3]2)(CCHH)(CH3)	113.4853	0.233	3	113.4853	0.054	3	113.2115	0.078	11	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:	C(NC[3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3]C[3]2)(CCHH)2	C(NC[3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3]C[3]2)(CCHH)2	113.1088	0.226	8	113.1088	0.051	8	113.2115	0.078	11	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]2)(CCHH)2	112.2413	0.823	10	112.2413	0.677	10	112.2871	0.983	57	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]N[4])(CCHH)2	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]N[4])(CCHH)2	111.8556	0.525	28	111.8556	0.276	28	112.2871	0.983	57	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]N[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]N[4]2)(CCHH)2	112.9753	0.431	3	112.9753	0.186	3	112.2871	0.983	57	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]O[4]S[4])(CCHH)2	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]O[4]S[4])(CCHH)2	112.4058	0.714	6	112.4058	0.509	6	112.2871	0.983	57	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]S[4]2)(CCHH)2	113.2636	1.575	10	113.2636	2.481	10	112.2871	0.983	57	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,5]N[5])(CCHH)2	111.9763	0.906	10	111.9763	0.822	10	111.7471	0.617	19	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5]O[5])(CCHH)2	111.2360	0.476	4	111.2360	0.227	4	111.7471	0.617	19	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5]2)(CCHH)2	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5]2)(CCHH)2	111.2280	0.000	1	111.2280	0.000	1	111.7471	0.617	19	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5]O[5])(CCHH)2	111.8148	0.627	4	111.8148	0.394	4	111.7471	0.617	19	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]O[5a])(CCHH)2	113.7630	1.705	6	113.7630	2.907	6	113.4829	2.370	14	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]S[5a])(CCHH)2	113.2729	1.486	8	113.2729	2.208	8	113.4829	2.370	14	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6,6a]C[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6,6a]C[6])(CCHH)2	112.6667	0.603	10	112.6667	0.364	10	112.7707	5.355	51	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CCHH)2	113.4599	3.889	16	113.4599	15.124	16	112.7707	5.355	51	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	111.5505	0.794	2	111.5505	0.631	2	112.7707	5.355	51	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]2)(CCHH)2	112.2858	1.117	17	112.2858	1.247	17	112.7707	5.355	51	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]O[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]O[6])(CCHH)2	112.2100	0.372	2	112.2100	0.138	2	112.7707	5.355	51	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]S[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]S[6])(CCHH)2	113.2250	0.510	4	113.2250	0.260	4	112.7707	5.355	51	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[4,6a]C[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[4,6a]C[6a])(CCHH)2	113.5790	0.713	2	113.5790	0.508	2	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]2)(CCHH)2	111.3830	0.175	2	111.3830	0.031	2	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]N[6a])(CCHH)2	112.4450	0.000	1	112.4450	0.000	1	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCHH)2	114.9425	1.505	2	114.9425	2.266	2	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	112.5810	0.000	1	112.5810	0.000	1	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]N[6a])(CCHH)2	112.4110	0.922	2	112.4110	0.850	2	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)2	113.0395	2.133	932	113.0395	4.550	932	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.4950	0.000	1	113.4950	0.000	1	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]N[6a])(CCHH)2	113.1627	1.147	12	113.1627	1.316	12	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	113.8330	0.000	1	113.8330	0.000	1	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)(CH3)	110.9100	0.000	1	110.9100	0.000	1	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)2	112.7735	1.199	75	112.7735	1.439	75	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]O[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]O[6a])(CCHH)2	113.4830	1.304	2	113.4830	1.700	2	113.0209	4.248	1034	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:S-4:	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(SCOO)	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:	C(NC[6a]P)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(PIrCC)(CCHH)	C(NC[6a]P)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(PIrCC)(CCHH)	115.4210	0.055	2	115.4210	0.003	2	115.4210	0.003	2	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	111.3077	0.324	3	111.3077	0.105	3	111.3077	0.105	3	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:	C(NP[5]C)(CH3)(H)2	C(CHHN)(H)3	N(P[5]N[5]2)(CCHH)2	C(NP[5]C)(CH3)(H)2	C(CHHN)(H)3	N(P[5]N[5]2)(CCHH)2	113.6030	1.082	2	113.6030	1.170	2	113.6030	1.170	2	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-3:C-4:C-4:	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]C[5,6]2)(CCHH)2	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]C[5,6]2)(CCHH)2	114.1795	0.734	4	114.1795	0.538	4	113.7812	1.017	6	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-3:C-4:C-4:	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]S[6]2)(CCHH)2	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]S[6]2)(CCHH)2	112.9845	1.252	2	112.9845	1.568	2	113.7812	1.017	6	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(SiSi2)(CCHH)2	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(SiSi2)(CCHH)2	114.2410	0.113	2	114.2410	0.013	2	114.2410	0.013	2	112.9396	4.238	1224	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P[5]-4:C-4:C-4:	C(NP[5]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(P[5]N[5]O[5]O)(CCHH)2	C(NP[5]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(P[5]N[5]O[5]O)(CCHH)2	111.1052	1.981	4	111.1052	3.926	4	111.1052	3.926	4	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P[6]-4:C-4:C-4:	C(NP[6]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(P[6]N[6]O[6]O)(CCHH)2	C(NP[6]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(P[6]N[6]O[6]O)(CCHH)2	113.7190	1.616	2	113.7190	2.613	2	112.2057	3.944	4	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P[6]-4:C-4:C-4:	C(NP[6]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(P[6]O[6]2O)(CCHH)2	C(NP[6]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	N(P[6]O[6]2O)(CCHH)2	110.6925	0.241	2	110.6925	0.058	2	112.2057	3.944	4	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Dy)(CCHH)2	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Dy)(CCHH)2	113.6820	0.018	2	113.6820	0.000	2	113.8154	1.596	10	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Er)(CCHH)2	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Er)(CCHH)2	113.3815	0.240	2	113.3815	0.057	2	113.8154	1.596	10	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Sc)(CCHH)2	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Sc)(CCHH)2	112.8220	0.160	2	112.8220	0.026	2	113.8154	1.596	10	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Y)(CCHH)2	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Y)(CCHH)2	114.5958	1.775	4	114.5958	3.152	4	113.8154	1.596	10	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Si-4:	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(SiC3)	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(SiC3)	114.4720	1.452	2	114.4720	2.109	2	114.4720	2.109	2	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3,3]-4:C-4:C-4:	C(NC[3,3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	C(NC[3,3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	112.1715	1.568	2	112.1715	2.458	2	112.1715	2.458	2	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:S-4:C-4:	C(NC[6]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C(NC[6]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	114.0620	1.199	3	114.0620	1.438	3	114.0620	1.438	3	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge[6]-4:C-4:C-4:	C(NGe[6]C)(CH3)(H)2	C(CHHN)(H)3	N(Ge[6]C[6]N[6]C)(CCHH)2	C(NGe[6]C)(CH3)(H)2	C(CHHN)(H)3	N(Ge[6]C[6]N[6]C)(CCHH)2	113.6420	0.380	2	113.6420	0.145	2	113.6420	0.145	2	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]C[5,6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]C[5,6]2O)(CCHH)2	113.3120	0.748	2	113.3120	0.560	2	112.7490	0.836	4	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]O[6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]O[6]2O)(CCHH)2	112.1860	0.824	2	112.1860	0.680	2	112.7490	0.836	4	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(SiCCN)(CCHH)2	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(SiCCN)(CCHH)2	113.5222	0.386	4	113.5222	0.149	4	113.5222	0.149	4	113.1211	2.435	35	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	5:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5]-5:C-4:C-4:	C(NP[5]C)(CH3)(H)2	C(CHHN)(H)3	N(P[5]N[5]2CeN)(CCHH)2	C(NP[5]C)(CH3)(H)2	C(CHHN)(H)3	N(P[5]N[5]2CeN)(CCHH)2	114.4900	0.762	2	114.4900	0.581	2	114.4900	0.581	2	114.4900	0.581	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	6:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-3:	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Sn)(CCHH)(CCH)	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Sn)(CCHH)(CCH)	110.7415	1.061	2	110.7415	1.127	2	110.7415	1.127	2	110.7415	1.127	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:1:1:1:	6:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[5]-6:C-4:C-4:	C(NSi[5]C)(CH3)(H)2	C(CHHN)(H)3	N(Si[5]C[5]2Li2N)(CCHH)2	C(NSi[5]C)(CH3)(H)2	C(CHHN)(H)3	N(Si[5]C[5]2Li2N)(CCHH)2	114.3460	0.436	4	114.3460	0.190	4	114.3460	0.190	4	114.3460	0.190	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	N(C[5]C[5]2)(CCHH)(H)	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	111.3387	0.529	3	111.3387	0.280	3	112.5380	2.837	5	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	114.3370	0.000	2	114.3370	0.000	2	112.5380	2.837	5	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5]C[5]2)(CCHH)(H)	112.5697	1.299	4	112.5697	1.688	4	112.5697	1.688	4	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]C[6,6a]C[6])(CCHH)(H)	112.1910	0.000	1	112.1910	0.000	1	112.6660	0.451	2	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]N[6]2)(CCHH)(H)	113.1410	0.000	1	113.1410	0.000	1	112.6660	0.451	2	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	109.7350	1.825	3	109.7350	3.332	3	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.9080	0.182	2	110.9080	0.033	2	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.6745	1.983	2	112.6745	3.934	2	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	113.1750	0.000	1	113.1750	0.000	1	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	109.7784	1.557	5	109.7784	2.423	5	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.5420	2.085	7	112.5420	4.347	7	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.3505	3.929	2	112.3505	15.440	2	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	114.4250	2.169	3	114.4250	4.705	3	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OS)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OS)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.2987	1.557	4	112.2987	2.426	4	111.8414	5.102	29	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[5]N[5]2)(CCHH)(H)	112.1310	1.568	2	112.1310	2.460	2	112.1310	2.460	2	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHS)(H)2	C(CHHN)(SS)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C(CHHN)(SS)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	112.1029	4.123	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:2:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:N-2:	C(NC[6a]N)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	C(NC[6a]N)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	114.0310	0.000	1	114.0310	0.000	1	114.0310	0.000	1	114.0310	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	112.5600	1.905	4	112.5600	3.631	4	112.5600	3.631	4	113.1264	4.327	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:	C(NC[6a]N)(CHHO)(H)2	C(CHHN)(ON)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	C(NC[6a]N)(CHHO)(H)2	C(CHHN)(ON)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	113.1264	4.327	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	N(C[6]C[6]2)(CCHH)2	112.8330	0.354	2	112.8330	0.125	2	112.8330	0.125	2	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	N(C[6a]C[6a]2)(CCHH)2	111.1513	4.164	3	111.1513	17.341	3	111.1513	17.341	3	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NC)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NC)(H)2	N(C[6a]C[6a]2)(CCHH)2	114.7865	2.304	2	114.7865	5.311	2	112.9894	4.211	5	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NN)(H)2	N(C[6a]C[6a]2)(CCHH)2	111.7913	0.619	3	111.7913	0.384	3	112.9894	4.211	5	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	112.5960	0.000	1	112.5960	0.000	1	112.9370	0.233	2	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	113.2780	0.000	1	113.2780	0.000	1	112.9370	0.233	2	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2)(CCHH)2	113.1292	1.965	4	113.1292	3.861	4	112.4867	2.603	7	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	N(C[6]C[6]2)(CCHH)2	111.4565	0.071	2	111.4565	0.005	2	112.4867	2.603	7	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]C[6]N[6])(CCHH)2	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]C[6]N[6])(CCHH)2	111.9770	0.000	1	111.9770	0.000	1	112.4867	2.603	7	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)2	113.3473	1.437	23	113.3473	2.066	23	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.6833	1.168	3	113.6833	1.364	3	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]N[6a]2)(CCHH)2	112.4615	0.612	4	112.4615	0.374	4	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	N(C[6a]C[6a]2)(CCHH)2	112.0083	0.824	6	112.0083	0.678	6	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	114.1980	0.000	1	114.1980	0.000	1	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2	113.0810	0.000	1	113.0810	0.000	1	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	112.6017	2.867	7	112.6017	8.218	7	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)2	113.6389	1.346	15	113.6389	1.811	15	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	113.5640	0.000	1	113.5640	0.000	1	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	114.6400	0.095	2	114.6400	0.009	2	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	113.4760	0.000	1	113.4760	0.000	1	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]N[6a]2)(CCHH)2	113.5060	1.387	2	113.5060	1.925	2	113.2324	2.340	66	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[6a]C[6a]2)(CCHH)2	111.9064	1.587	8	111.9064	2.519	8	112.2441	6.324	12	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SS)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SS)(H)2	N(C[6a]C[6a]2)(CCHH)2	115.4065	1.298	2	115.4065	1.684	2	112.2441	6.324	12	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SS)(H)2	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SS)(H)2	N(C[6a]N[6a]2)(CCHH)2	110.4325	4.772	2	110.4325	22.775	2	112.2441	6.324	12	112.9651	3.246	97	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	4:3:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-3:C-4:	C(NC[6,6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C(NC[6,6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:S-4:C-4:	C(NC[6]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C(NC[6]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	113.8700	2.350	2	113.8700	5.524	2	113.8700	5.524	2	113.9120	2.497	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[5]C[5,6]C[5]Ti)(CCHH)2	C(NC[5]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	N(C[5]C[5,6]C[5]Ti)(CCHH)2	113.9540	1.400	2	113.9540	1.960	2	113.9540	1.960	2	113.9120	2.497	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:2:2:1:	4:3:4:	N-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C[3,6]-4:C-3:C-4:	C(NC[3,6]C)(CHOO)(H)2	C(CHHN)(OC)2(H)	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	C(NC[3,6]C)(CHOO)(H)2	C(CHHN)(OC)2(H)	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	114.0380	0.000	1	114.0380	0.000	1	113.5420	0.492	2	113.5420	0.492	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	113.0460	0.000	1	113.0460	0.000	1	113.5420	0.492	2	113.5420	0.492	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6]C[6]2)(CCHH)(H)	114.0790	0.000	1	114.0790	0.000	1	113.5382	0.946	6	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6]N[6]2)(CCHH)(H)	113.5975	1.128	4	113.5975	1.273	4	113.5382	0.946	6	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6]C[5a,6]N[6])(CCHH)(H)	112.7600	0.000	1	112.7600	0.000	1	113.5382	0.946	6	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	109.5809	1.436	12	109.5809	2.062	12	110.6069	3.007	22	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.0480	0.000	1	112.0480	0.000	1	110.6069	3.007	22	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.0550	0.525	2	110.0550	0.275	2	110.6069	3.007	22	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.3176	0.856	7	112.3176	0.732	7	110.6069	3.007	22	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[4a]-3:C-4:H-1:	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	111.4633	0.602	3	111.4633	0.362	3	111.4633	0.362	3	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[5]C[5]2)(CCHH)(H)	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[5a]N[5a]2)(CCHH)(H)	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6,6a]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6,6a]2)(CCHH)(H)	111.5992	0.393	5	111.5992	0.154	5	110.7572	3.116	8	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]2)(CCHH)(H)	110.3350	2.444	2	110.3350	5.972	2	110.7572	3.116	8	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	107.3920	0.000	1	107.3920	0.000	1	110.7572	3.116	8	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	109.9774	1.871	7	109.9774	3.499	7	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.5163	2.244	9	110.5163	5.035	9	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	113.2965	1.153	4	113.2965	1.329	4	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	109.3535	0.004	2	109.3535	0.000	2	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	112.1555	2.990	2	112.1555	8.942	2	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.4080	0.688	8	112.4080	0.474	8	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.4173	0.201	3	112.4173	0.040	3	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NHH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NHH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.9770	2.714	3	110.9770	7.365	3	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NIrC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NIrC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	110.7620	0.000	1	110.7620	0.000	1	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NOsC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NOsC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	111.0285	0.385	2	111.0285	0.149	2	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	112.9250	2.478	2	112.9250	6.139	2	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	112.4860	0.000	1	112.4860	0.000	1	111.3931	3.767	44	111.2827	3.620	85	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:2:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-2:	C(NC[6a]N)(CCHH)(H)2	C(CHHN)(CCN)(H)2	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CCHH)(H)2	C(CHHN)(CCN)(H)2	N(C[6a]C[6a]2)(CCHH)(NO)	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:S-4:	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(COO)(H)2	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	113.1330	0.000	1	113.1330	0.000	1	113.1330	0.000	1	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:S-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	111.4413	0.421	3	111.4413	0.177	3	111.4413	0.177	3	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	114.8060	0.000	1	114.8060	0.000	1	113.4430	3.716	2	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.0800	0.000	1	112.0800	0.000	1	113.4430	3.716	2	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[4a]-3:C-4:C-4:	C(NC[4a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[4a]C[4a]2)(CCHH)(CH3)	C(NC[4a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[4a]C[4a]2)(CCHH)(CH3)	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)2	116.0135	0.780	2	116.0135	0.608	2	113.3200	4.993	9	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	112.0435	4.175	2	112.0435	17.435	2	113.3200	4.993	9	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCHH)2	112.5395	0.733	4	112.5395	0.537	4	113.3200	4.993	9	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	113.6080	0.000	1	113.6080	0.000	1	113.3200	4.993	9	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OCdH)(H)2	N(C[6]C[6]N[6])(CCHH)2	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OCdH)(H)2	N(C[6]C[6]N[6])(CCHH)2	114.7390	0.000	1	114.7390	0.000	1	114.7390	0.000	1	112.9754	3.376	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6]C[6]2H)(CCHH)(CCO)	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6]C[6]2H)(CCHH)(CCO)	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	111.8675	1.209	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[3]-4:C-4:C-3:	C(NC[3]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[3]C[3]2H)(CCHH)(COO)	C(NC[3]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[3]C[3]2H)(CCHH)(COO)	111.3250	0.218	3	111.3250	0.047	3	111.3250	0.047	3	111.8675	1.209	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	P[5]-4:C-4:C-4:	C(NP[5]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(P[5]N[5]2O)(CCHH)(CH3)	C(NP[5]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(P[5]N[5]2O)(CCHH)(CH3)	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	112.3790	2.500	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ge-4:C-4:Si-4:	C(NGeSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GeC[6a]NN)(CCHH)(SiC3)	C(NGeSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GeC[6a]NN)(CCHH)(SiC3)	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	112.3790	2.500	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:2:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:O-2:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CHNO)(H)2	C(CHHN)(NCH)(OH)(H)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CHNO)(H)2	C(CHHN)(NCH)(OH)(H)	N(C[5a]C[5a]N[5a])(CCHH)(H)	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:3:3:3:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]C[5a]N[5a])(CCHH)(H)	111.8486	0.657	7	111.8486	0.432	7	111.8486	0.432	7	111.8486	0.432	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5]-3:B[5]-3:C-4:	C(NB[5]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(B[5]O[5]2)2(CCHH)	C(NB[5]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(B[5]O[5]2)2(CCHH)	113.1790	0.000	1	113.1790	0.000	1	112.8650	0.197	2	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5]-3:B[5]-3:C-4:	C(NB[5]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(B[5]O[5]2)2(CCHH)	C(NB[5]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(B[5]O[5]2)2(CCHH)	112.5510	0.000	1	112.5510	0.000	1	112.8650	0.197	2	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	113.0916	1.186	21	113.0916	1.407	21	112.9068	1.404	29	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	113.2693	0.303	3	113.2693	0.092	3	112.9068	1.404	29	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	112.4190	0.000	1	112.4190	0.000	1	112.9068	1.404	29	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CClHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CClHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	110.4450	0.000	1	110.4450	0.000	1	112.9068	1.404	29	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	111.7135	0.767	2	111.7135	0.589	2	112.9068	1.404	29	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	113.2750	0.000	1	113.2750	0.000	1	112.9068	1.404	29	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	112.8040	0.000	1	112.8040	0.000	1	112.7321	0.711	13	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	113.1735	0.695	2	113.1735	0.483	2	112.7321	0.711	13	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)2(CCHH)	111.9770	0.000	1	111.9770	0.000	1	112.7321	0.711	13	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	113.1863	0.447	4	113.1863	0.200	4	112.7321	0.711	13	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)2(CCHH)	111.8840	0.919	2	111.8840	0.845	2	112.7321	0.711	13	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	113.9760	0.000	1	113.9760	0.000	1	112.7321	0.711	13	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	111.9500	0.775	2	111.9500	0.601	2	112.7321	0.711	13	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CHHP)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CHHP)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	112.8037	1.209	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5a]-3:C-4:H-1:	C(NB[5a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(B[5a]N[5a]2)(CCHH)(H)	C(NB[5a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(B[5a]N[5a]2)(CCHH)(H)	111.5005	0.667	2	111.5005	0.445	2	111.5005	0.445	2	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3]-3:C-4:H-1:	C(NC[3]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[3]C[3]2)(CCHH)(H)	C(NC[3]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[3]C[3]2)(CCHH)(H)	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4a]-3:C-4:H-1:	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	112.9613	1.562	4	112.9613	2.439	4	112.9613	2.439	4	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]C[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]C[5])(CCHH)(H)	111.2770	0.000	1	111.2770	0.000	1	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5]2)(CCHH)(H)	112.7923	2.302	3	112.7923	5.298	3	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5]N[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5]N[5])(CCHH)(H)	114.4890	0.000	1	114.4890	0.000	1	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]N[5]2)(CCHH)(H)	113.4345	1.217	2	113.4345	1.481	2	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]N[5]S[5])(CCHH)(H)	113.0300	0.000	1	113.0300	0.000	1	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[5]N[5]P[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[5]N[5]P[5])(CCHH)(H)	110.9880	0.000	1	110.9880	0.000	1	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[5]N[5]2)(CCHH)(H)	113.7610	0.000	1	113.7610	0.000	1	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[5]C[5]2)(CCHH)(H)	110.6100	0.533	2	110.6100	0.284	2	112.5009	2.829	12	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]2)(CCHH)(H)	111.0685	0.104	2	111.0685	0.011	2	112.0662	3.015	9	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(CCHH)(H)	109.5530	0.000	1	109.5530	0.000	1	112.0662	3.015	9	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]N[5a,6]C[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]N[5a,6]C[5a])(CCHH)(H)	112.7514	1.752	5	112.7514	3.070	5	112.0662	3.015	9	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[5a]N[5a]S[5a])(CCHH)(H)	113.1490	0.000	1	113.1490	0.000	1	112.0662	3.015	9	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)(H)	112.5760	2.258	2	112.5760	5.101	2	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	111.4201	1.264	19	111.4201	1.599	19	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	114.0770	0.000	1	114.0770	0.000	1	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]N[6]2)(CCHH)(H)	113.3813	0.734	3	113.3813	0.539	3	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	111.4555	0.503	2	111.4555	0.253	2	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6]2)(CCHH)(H)	112.7960	0.000	1	112.7960	0.000	1	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6]C[6]2)(CCHH)(H)	112.2648	1.420	4	112.2648	2.017	4	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6]C[6]2)(CCHH)(H)	111.9900	0.000	1	111.9900	0.000	1	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]2)(CCHH)(H)	112.9700	0.000	1	112.9700	0.000	1	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(C[6]C[6,6a]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(C[6]C[6,6a]N[6])(CCHH)(H)	112.1890	0.000	1	112.1890	0.000	1	111.9505	1.787	35	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	111.7850	0.000	1	111.7850	0.000	1	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	109.5776	0.783	5	109.5776	0.612	5	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	116.8120	0.000	1	116.8120	0.000	1	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	111.0263	1.386	7	111.0263	1.921	7	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	110.7750	0.000	1	110.7750	0.000	1	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	111.4315	1.767	34	111.4315	3.121	34	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	111.4130	0.000	1	111.4130	0.000	1	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	112.5362	1.416	14	112.5362	2.005	14	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.0540	0.000	1	110.0540	0.000	1	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	114.4444	0.402	7	114.4444	0.162	7	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.0780	1.283	6	112.0780	1.645	6	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.6082	2.464	5	112.6082	6.074	5	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	113.3163	0.539	7	113.3163	0.291	7	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	109.5625	0.494	6	109.5625	0.244	6	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(H)	111.4103	1.810	4	111.4103	3.275	4	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	115.1007	1.712	3	115.1007	2.931	3	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	112.5400	0.000	1	112.5400	0.000	1	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	113.1860	0.000	1	113.1860	0.000	1	111.9426	3.828	105	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[4]-3:C-4:H-1:	C(NC[4]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[4]C[4]2)(CCHH)(H)	C(NC[4]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[4]C[4]2)(CCHH)(H)	112.8900	0.565	3	112.8900	0.319	3	112.8900	0.319	3	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[4a]-3:C-4:H-1:	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NC3)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NC3)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	115.6270	0.000	1	115.6270	0.000	1	113.9050	5.931	2	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[4a]-3:C-4:H-1:	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	112.1830	0.000	1	112.1830	0.000	1	113.9050	5.931	2	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[6]C[6,6a]C[6])(CCHH)(H)	115.8440	1.039	2	115.8440	1.080	2	114.8593	3.449	3	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[6]C[6]2)(CCHH)(H)	112.8900	0.000	1	112.8900	0.000	1	114.8593	3.449	3	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	113.0715	0.185	2	113.0715	0.034	2	112.5728	3.392	6	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.3235	2.323	4	112.3235	5.394	4	112.5728	3.392	6	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHP)(H)2	C(PC[6]2Co)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHP)(H)2	C(PC[6]2Co)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	112.0611	3.461	184	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:2:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CN)	113.0250	0.584	2	113.0250	0.341	2	113.0250	0.341	2	113.0250	0.341	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBrCH)(H)2	C(CC[6a]BrC)(CHHN)(Br)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CBrCH)(H)2	C(CC[6a]BrC)(CHHN)(Br)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	116.0820	0.000	1	116.0820	0.000	1	116.0820	0.000	1	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	114.1850	0.000	1	114.1850	0.000	1	112.6770	4.548	2	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]N[5a]2)(CCHH)(CCO)	111.1690	0.000	1	111.1690	0.000	1	112.6770	4.548	2	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(CIrN)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(CIrN)	115.2140	0.000	1	115.2140	0.000	1	114.4267	0.912	3	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(COO)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(COO)	114.7020	0.000	1	114.7020	0.000	1	114.4267	0.912	3	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(CHN)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)(CHN)	113.3640	0.000	1	113.3640	0.000	1	114.4267	0.912	3	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	111.8816	0.303	5	111.8816	0.092	5	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CFeN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CFeN)	113.8493	1.028	6	113.8493	1.057	6	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CHN)	112.9216	0.942	11	112.9216	0.888	11	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CHO)	112.7394	1.822	5	112.7394	3.321	5	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CInN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CInN)	114.2875	1.286	2	114.2875	1.654	2	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CIrN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CIrN)	112.8700	0.763	5	112.8700	0.582	5	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CNiN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CNiN)	113.4538	1.069	6	113.4538	1.144	6	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(COO)	112.4360	0.000	1	112.4360	0.000	1	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CPdN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CPdN)	113.5540	0.645	4	113.5540	0.417	4	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CRhN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CRhN)	112.5160	0.440	4	112.5160	0.193	4	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CZnN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CZnN)	113.6832	1.355	6	113.6832	1.835	6	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	112.3120	0.000	1	112.3120	0.000	1	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	111.4670	0.000	1	111.4670	0.000	1	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(CHO)	112.4380	0.000	1	112.4380	0.000	1	113.0521	1.270	58	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	109.8290	0.576	10	109.8290	0.332	10	109.8290	0.332	10	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CHO)	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	112.6754	2.649	75	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CBrCH)(H)2	C(CCHN)(CHHN)(Br)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CBrCH)(H)2	C(CCHN)(CHHN)(Br)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3]-3:C-4:C-4:	C(NC[3]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[3]C[3]2)(CCHH)2	C(NC[3]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[3]C[3]2)(CCHH)2	113.0883	0.442	12	113.0883	0.195	12	113.0883	0.195	12	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[4]S[4]2)(CCHH)(CH3)	C(NC[4]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[4]S[4]2)(CCHH)(CH3)	113.1340	1.447	3	113.1340	2.095	3	112.4754	1.927	5	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[4]S[4]2)(CCHH)2	111.4875	0.517	2	111.4875	0.267	2	112.4754	1.927	5	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]O[5a])(CCHH)2	112.4665	1.787	4	112.4665	3.195	4	112.3525	5.490	15	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]S[5a])(CCHH)2	112.9961	1.316	10	112.9961	1.731	10	112.3525	5.490	15	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	C(NC[5a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	105.4600	0.000	1	105.4600	0.000	1	112.3525	5.490	15	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:S-4:	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	112.6945	1.867	2	112.6945	3.487	2	112.6945	3.487	2	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:S-4:C-4:	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	114.9830	0.000	1	114.9830	0.000	1	115.7700	1.239	2	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:S-4:C-4:	C(NC[5a]S)(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	116.5570	0.000	1	116.5570	0.000	1	115.7700	1.239	2	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)2	114.7830	1.229	6	114.7830	1.512	6	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCHH)2	114.5020	0.000	1	114.5020	0.000	1	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a,6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a,6a]2)(CCHH)2	112.9675	1.307	2	112.9675	1.709	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	114.3192	2.738	26	114.3192	7.496	26	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	115.1940	0.000	1	115.1940	0.000	1	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	113.3530	0.549	2	113.3530	0.301	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(CH3)	111.2450	0.000	1	111.2450	0.000	1	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)2	113.3643	1.200	11	113.3643	1.441	11	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	114.4720	0.000	1	114.4720	0.000	1	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	113.8645	0.056	2	113.8645	0.003	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.9790	0.000	1	113.9790	0.000	1	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	112.0500	0.000	1	112.0500	0.000	1	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a,6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a,6a]2)(CCHH)2	113.4365	0.493	2	113.4365	0.243	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)2	113.0276	1.767	13	113.0276	3.122	13	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]N[6a]2)(CCHH)2	113.9580	0.927	22	113.9580	0.860	22	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	114.0950	0.048	2	114.0950	0.002	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CCHH)2	112.9165	1.039	2	112.9165	1.079	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2	111.6015	0.175	2	111.6015	0.031	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	110.0785	0.484	2	110.0785	0.235	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	113.9183	1.041	8	113.9183	1.084	8	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)2	111.8555	1.669	2	111.8555	2.787	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	112.9225	1.452	2	112.9225	2.107	2	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	114.2200	0.000	1	114.2200	0.000	1	113.6781	3.264	113	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-4:	C(NC[6a]S)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	111.3670	0.000	1	111.3670	0.000	1	112.7625	2.069	4	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	113.2277	1.344	3	113.2277	1.806	3	112.7625	2.069	4	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[3x6]-4:C-4:	C(NC[3x6]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C(NC[3x6]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.4747	0.925	3	112.4747	0.856	3	112.9035	1.574	12	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.9784	1.239	5	112.9784	1.536	5	112.9035	1.574	12	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	113.4570	0.000	1	113.4570	0.000	1	112.9035	1.574	12	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	113.0230	2.066	3	113.0230	4.267	3	112.9035	1.574	12	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHI)(H)2	C(CHHN)(CH3)(H)(I)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHI)(H)2	C(CHHN)(CH3)(H)(I)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	113.2335	0.486	2	113.2335	0.236	2	113.2335	0.236	2	113.3976	3.142	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-3:C-4:	C(NC[5]C)(CCHH)(H)2	C(CC[5]HO)(CHHN)(H)2	N(C[5]C[5]2H)(CC[6a]O)(CCHH)	C(NC[5]C)(CCHH)(H)2	C(CC[5]HO)(CHHN)(H)2	N(C[5]C[5]2H)(CC[6a]O)(CCHH)	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	111.2350	3.794	2	111.2350	14.397	2	111.2350	14.397	2	111.3647	7.249	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	N(P[6]O[6]2O)(CCHH)(H)	C(NP[6]H)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	N(P[6]O[6]2O)(CCHH)(H)	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	111.3647	7.249	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-3:	C(NC[3]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[3]C[3]2H)(CCHH)(COO)	C(NC[3]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[3]C[3]2H)(CCHH)(COO)	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	113.4376	0.968	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:	C(NC[5]C)(CCHH)(H)2	C(CCCH)(CHHN)(H)2	N(C[5]C[5]O[5]C)(CCHH)(COO)	C(NC[5]C)(CCHH)(H)2	C(CCCH)(CHHN)(H)2	N(C[5]C[5]O[5]C)(CCHH)(COO)	112.7540	0.000	1	112.7540	0.000	1	113.3340	0.673	2	113.4376	0.968	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:	C(NC[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5]2Fe)(CCHH)(CCO)	C(NC[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5]2Fe)(CCHH)(CCO)	113.9140	0.000	1	113.9140	0.000	1	113.3340	0.673	2	113.4376	0.968	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CHN)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CHN)	112.8485	0.497	2	112.8485	0.247	2	113.1552	0.323	8	113.4376	0.968	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CIrN)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CIrN)	113.2378	0.762	4	113.2378	0.581	4	113.1552	0.323	8	113.4376	0.968	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CRhN)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CRhN)	113.2970	0.136	2	113.2970	0.018	2	113.1552	0.323	8	113.4376	0.968	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:S-4:C-4:	C(NC[6]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C(NC[6]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	113.1062	0.365	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[5]N[5,5]2O)(CCHH)(CH3)	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[5]N[5,5]2O)(CCHH)(CH3)	112.7935	0.426	2	112.7935	0.182	2	113.0005	0.412	4	113.1062	0.365	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[5]N[5]2O)(CCHH)(CH3)	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[5]N[5]2O)(CCHH)(CH3)	113.2075	0.940	2	113.2075	0.883	2	113.0005	0.412	4	113.1062	0.365	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:2:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CC)(H)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CC)(H)	N(C[6a]N[6a]2)(CCHH)(H)	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	112.4917	2.328	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:2:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	N(C[6]C[6]2)(CCHH)(H)	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	112.4917	2.328	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:2:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	N(C[6a]C[6a]2)(CCHH)(H)	113.3640	0.000	1	113.3640	0.000	1	113.3640	0.000	1	112.4917	2.328	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:2:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:3:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:S-4:	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	112.8972	2.303	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:3:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	111.1000	0.000	1	111.1000	0.000	1	112.5403	2.014	3	112.8972	2.303	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:3:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCCH)(H)2	C(CHHN)2(COO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C(CHHN)2(COO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	113.2605	0.957	2	113.2605	0.915	2	112.5403	2.014	3	112.8972	2.303	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:3:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	112.8972	2.303	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:3:3:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C[5a]-3:S-4:C-4:	C(NC[5a]S)(CC3)(H)2	C(CCHH)(CHHN)(CCH)(COO)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CC3)(H)2	C(CCHH)(CHHN)(CCH)(COO)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCHH)	113.8985	0.329	2	113.8985	0.108	2	113.8985	0.108	2	113.8985	0.108	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCCF)(H)2	C(CHHN)(CH3)2(F)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCCF)(H)2	C(CHHN)(CH3)2(F)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	115.1120	0.004	2	115.1120	0.000	2	115.1120	0.000	2	113.7433	5.620	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCCH)(H)2	C(CHHN)2(CH3)(H)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCCH)(H)2	C(CHHN)2(CH3)(H)	N(C[6a]C[6a]2)2(CCHH)	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	113.7433	5.620	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6]C[6]2)(CCHH)(H)	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	112.1316	3.986	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	N(C[6a]C[6a]2)(CCHH)(H)	111.4870	1.478	3	111.4870	2.184	3	112.3105	5.341	6	112.1316	3.986	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	109.7480	0.000	1	109.7480	0.000	1	112.3105	5.341	6	112.1316	3.986	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]N[6a]2)(CCHH)(H)	114.8270	1.034	2	114.8270	1.069	2	112.3105	5.341	6	112.1316	3.986	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:P-4:P-4:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHPP)(H)2	C(CHHN)(PO3)2(H)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHPP)(H)2	C(CHHN)(PO3)2(H)	N(C[6]C[6]N[6])(CCHH)(H)	112.0600	0.000	1	112.0600	0.000	1	112.0600	0.000	1	112.1316	3.986	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	116.1350	0.000	1	116.1350	0.000	1	114.6128	0.995	5	114.6128	0.995	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]C[6a,6a]2)(CCHH)2	C(NC[6a]C)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]C[6a,6a]2)(CCHH)2	113.8635	0.565	2	113.8635	0.319	2	114.6128	0.995	5	114.6128	0.995	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6a]C[6a]2)(CCHH)2	114.6010	0.471	2	114.6010	0.222	2	114.6128	0.995	5	114.6128	0.995	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[5]C[5]N[5]C)(CCHH)(H)	C(NC[5]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[5]C[5]N[5]C)(CCHH)(H)	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:H-1:	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]2)(CCHH)(H)	113.8930	1.118	3	113.8930	1.251	3	114.1855	0.771	16	113.9969	1.262	24	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:H-1:	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]N[6])(CCHH)(H)	114.2530	0.854	13	114.2530	0.729	13	114.1855	0.771	16	113.9969	1.262	24	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	114.5460	1.973	2	114.5460	3.892	2	113.6197	2.252	8	113.9969	1.262	24	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)(H)	113.6910	1.146	5	113.6910	1.313	5	113.6197	2.252	8	113.9969	1.262	24	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)(H)2	C(CHHN)2(CH3)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C(CHHN)2(CH3)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	111.4110	0.000	1	111.4110	0.000	1	113.6197	2.252	8	113.9969	1.262	24	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:Nb-4:	C(NC[6a]Nb)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)(NbN3)	C(NC[6a]Nb)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)(NbN3)	114.7953	0.592	3	114.7953	0.351	3	114.7953	0.351	3	115.7592	1.846	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:Nb-4:C-4:	C(NC[6a]Nb)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(NbNNP)(CCHH)	C(NC[6a]Nb)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(NbNNP)(CCHH)	116.7230	1.215	3	116.7230	1.477	3	116.7230	1.477	3	115.7592	1.846	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:B-3:C-4:	C(NC[5]B)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(BC[5]C)(CCHH)	C(NC[5]B)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(BC[5]C)(CCHH)	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-3:	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CCN)	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CCN)	113.7980	0.000	1	113.7980	0.000	1	117.0970	2.688	9	117.0970	2.688	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-3:	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CHN)	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CHN)	116.4465	0.740	2	116.4465	0.548	2	117.0970	2.688	9	117.0970	2.688	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-3:	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CHO)	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CHO)	116.1520	0.000	1	116.1520	0.000	1	117.0970	2.688	9	117.0970	2.688	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-3:	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CRhN)	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CRhN)	118.2060	0.739	5	118.2060	0.547	5	117.0970	2.688	9	117.0970	2.688	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:1:1:	4:4:4:4:	6:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	Nb[3x3]-6:C[6a]-3:C-4:	C(NNb[3x3]C[6a])(CC3)(H)2	C(CHHN)(CH3)3	N(Nb[3x3]P[3x3]3NN)(C[6a]C[6a]2)(CCHH)	C(NNb[3x3]C[6a])(CC3)(H)2	C(CHHN)(CH3)3	N(Nb[3x3]P[3x3]3NN)(C[6a]C[6a]2)(CCHH)	117.8083	1.562	3	117.8083	2.441	3	117.8083	2.441	3	117.8083	2.441	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	3:4:1:	N-3:C-4:O-2:H-1:	N-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHNO)(OO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	N(C[6a]C[6a]2)(CCHO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	N(C[6a]C[6a]2)(CCHO)(H)	109.5015	0.698	4	109.5015	0.487	4	109.5015	0.487	4	109.5015	0.487	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	3:4:4:	N-3:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCCH)(OC)(H)	C(CC[6a]C)(CHNO)(COO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C(NC[6a]S)(CCCH)(OC)(H)	C(CC[6a]C)(CHNO)(COO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:3:1:	3:4:4:	N-3:C-4:C-2:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCCH)(CN)(H)	C(CCHN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCCH)(CN)(H)	C(CCHN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	2:4:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	N(CCCH)(COO)(H)	C(CN[5]O)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	N(CCCH)(COO)(H)	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:3:4:1:	3:4:1:	C[6,6]-3:C-4:N-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	105.7370	0.638	2	105.7370	0.407	2	105.7370	0.407	2	105.7370	0.407	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	N(CC[6a]CH)(COO)(H)	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:3:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6]-3:N[5]-3:C-4:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)(H)	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:1:1:	3:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:1:1:	3:4:4:	C[6a]-3:C-4:N-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	N(CC[5a]CH)(COO)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	N(CC[5a]CH)(COO)(H)	111.3790	0.000	1	111.3790	0.000	1	110.6434	1.066	25	110.2595	1.650	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	N(CC[5a]CH)(CC[5a]O)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	N(CC[5a]CH)(CC[5a]O)(H)	110.6128	1.043	24	110.6128	1.088	24	110.6434	1.066	25	110.2595	1.650	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	107.7990	0.044	2	107.7990	0.002	2	107.7990	0.002	2	110.2595	1.650	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	108.6740	0.529	3	108.6740	0.280	3	109.0900	0.879	4	110.2595	1.650	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CCO)(H)	110.3380	0.000	1	110.3380	0.000	1	109.0900	0.879	4	110.2595	1.650	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:2:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(C[4a]C[4a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(C[4a]C[4a]2)(CC[6a]CH)(H)	110.0730	1.171	2	110.0730	1.371	2	110.0730	1.371	2	110.6560	1.705	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:2:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHO)(COO)(H)	C(CC[6a]O)(CCHN)(OH)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C(CC[6a]O)(CCHN)(OH)(H)	N(C[6a]C[6a]2)(CCCH)(H)	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	110.6560	1.705	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:P-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(PC[6a]2S)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(PC[6a]2S)(CH3)	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:2:2:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	N(CC[6a]CH)(CCO)(H)	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:2:3:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:C-3:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(SC[6a])(COO)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(SC[6a])(COO)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.1510	0.000	1	110.1510	0.000	1	108.1178	1.457	5	108.1178	1.457	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	107.3750	0.012	3	107.3750	0.000	3	108.1178	1.457	5	108.1178	1.457	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.3130	0.000	1	108.3130	0.000	1	108.1178	1.457	5	108.1178	1.457	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	3:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:1:1:	C[6a]-3:C-4:N-3:F-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	N(CC[6a]CF)(O)2	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	N(CC[6a]CF)(O)2	108.9520	1.621	2	108.9520	2.627	2	108.9520	2.627	2	108.9520	2.627	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)(CCO)(H)	111.5820	0.000	1	111.5820	0.000	1	111.5820	0.000	1	110.0369	5.705	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:F-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	N(CC[6a]CH)(COO)(H)	107.0180	2.201	2	107.0180	4.842	2	107.0180	4.842	2	110.0369	5.705	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCO)(H)	113.8910	1.246	2	113.8910	1.552	2	110.5361	4.382	9	110.0369	5.705	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCS)(H)	109.9060	0.552	2	109.9060	0.304	2	110.5361	4.382	9	110.0369	5.705	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CC[6]O)(H)	109.4462	0.994	5	109.4462	0.989	5	110.5361	4.382	9	110.0369	5.705	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.2680	0.228	2	108.2680	0.052	2	108.2680	0.052	2	109.8853	7.873	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(CC[6a]CH)(PC[6a]2O)(H)	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	109.8853	7.873	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)(CH3)(CCO)	115.4700	0.000	1	115.4700	0.000	1	115.4700	0.000	1	115.4700	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:2:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:3:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.5660	1.604	2	110.5660	2.572	2	110.5660	2.572	2	110.5660	2.572	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:3:3:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:C-3:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	N(CC[6a]CH)(SC[6a]OO)(H)	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:1:1:	C[6a]-3:C-4:N-3:F-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	N(CC[6a]CF)(O)2	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	N(CC[6a]CF)(O)2	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	N(CC[6a]CH)(COO)(H)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	109.5813	1.571	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	N(CC[6a]CH)(COO)(H)	110.8150	0.000	1	110.8150	0.000	1	110.2175	0.714	2	109.5813	1.571	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	N(CC[6a]CH)(COO)(H)	109.6200	0.000	1	109.6200	0.000	1	110.2175	0.714	2	109.5813	1.571	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	P-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	N(PC[6a]2Pd)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	N(PC[6a]2Pd)(CC[6a]CH)(CH3)	114.5400	2.649	2	114.5400	7.016	2	114.5400	7.016	2	114.5400	7.016	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:3:	3:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	3:4:4:3:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	N(CC[6a]CH)(SCO)(H)	107.4600	0.560	2	107.4600	0.314	2	107.4600	0.314	2	107.4600	0.314	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CN[4]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[4]O)(CCCH)(H)	C(CN[4]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[4]O)(CCCH)(H)	111.7150	0.000	1	111.7150	0.000	1	109.7906	3.658	19	110.2412	3.685	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	109.7348	2.009	16	109.7348	4.037	16	109.7906	3.658	19	110.2412	3.685	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	109.2745	1.001	2	109.2745	1.001	2	109.7906	3.658	19	110.2412	3.685	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)(CHH)(H)	C(CCHN)(H)3	N(C[5]C[5]S[5])(CCCH)(H)	C(NC[5]H)(CH3)(CHH)(H)	C(CCHN)(H)3	N(C[5]C[5]S[5])(CCCH)(H)	109.6140	0.000	1	109.6140	0.000	1	110.7010	2.363	2	110.2412	3.685	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)(COO)(H)	C(CCHN)(H)3	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CH3)(COO)(H)	C(CCHN)(H)3	N(C[5]C[5]2)(CCCH)(H)	111.7880	0.000	1	111.7880	0.000	1	110.7010	2.363	2	110.2412	3.685	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(CCH)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CCH)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	112.7010	0.000	1	112.7010	0.000	1	112.1520	0.447	4	110.2412	3.685	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(CNO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CNO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	111.9690	0.685	3	111.9690	0.469	3	112.1520	0.447	4	110.2412	3.685	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(COO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)(COO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCO)	113.9970	1.895	2	113.9970	3.591	2	113.9970	3.591	2	113.9970	3.591	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]H)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CC[5]H)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	109.6970	0.000	1	109.6970	0.000	1	110.7163	0.839	18	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CC[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	111.8130	0.583	2	111.8130	0.339	2	110.7163	0.839	18	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CC[6a]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	111.0587	1.400	3	111.0587	1.961	3	110.7163	0.839	18	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.5522	0.584	6	110.5522	0.341	6	110.7163	0.839	18	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	110.3014	0.828	5	110.3014	0.686	5	110.7163	0.839	18	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]S)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CN[5a]S)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	111.5750	0.000	1	111.5750	0.000	1	110.7163	0.839	18	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)(H)	110.1150	0.000	1	110.1150	0.000	1	110.7355	0.770	2	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(C[5a]C[5a]S[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)(H)	C(C[5a]C[5a]S[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)(H)	111.3560	0.000	1	111.3560	0.000	1	110.7355	0.770	2	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(COO)(H)	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(COO)(H)	110.1090	0.919	2	110.1090	0.845	2	110.1334	0.533	8	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]2)(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CC[5a]O)(H)	C(C[5a]N[5a]2)(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CC[5a]O)(H)	110.4375	0.749	4	110.4375	0.561	4	110.1334	0.533	8	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CCO)(H)	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CCO)(H)	109.2770	0.000	1	109.2770	0.000	1	110.1334	0.533	8	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(COO)(H)	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(COO)(H)	109.8220	0.000	1	109.8220	0.000	1	110.1334	0.533	8	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:Br-1:Br-1:Br-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C(CC[6a]HN)(Br)3	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C(CC[6a]HN)(Br)3	N(CC[6a]CH)(CC[6a]O)(H)	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C(CC[6a]HN)(Cl)3	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C(CC[6a]HN)(Cl)3	N(CC[6a]CH)(CC[6a]O)(H)	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C(CC[6a]HN)(Cl)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C(CC[6a]HN)(Cl)(H)2	N(CC[6a]CH)(CCO)(H)	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C(CC[6a]HN)(F)3	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C(CC[6a]HN)(F)3	N(CC[6a]CH)(CCO)(H)	108.7280	0.000	1	108.7280	0.000	1	108.6095	0.028	2	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C(CC[6a]HN)(F)3	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C(CC[6a]HN)(F)3	N(CC[6a]CH)(CC[6a]O)(H)	108.4910	0.000	1	108.4910	0.000	1	108.6095	0.028	2	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C(CC[6a]HN)(F)(H)2	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C(CC[6a]HN)(F)(H)2	N(CC[6a]CH)(COO)(H)	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCO)(H)	109.1085	0.587	6	109.1085	0.345	6	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5,6]O)(H)	109.2460	0.512	4	109.2460	0.262	4	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]O)(H)	108.6612	1.417	5	108.6612	2.009	5	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(H)	108.7655	1.053	4	108.7655	1.108	4	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNO)(H)	110.0583	0.333	3	110.0583	0.111	3	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNS)(H)	110.2535	1.341	4	110.2535	1.799	4	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCC)(H)	108.4770	1.623	4	108.4770	2.636	4	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCN)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCN)(H)	108.3546	0.790	5	108.3546	0.624	5	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCO)(H)	109.2173	0.798	47	109.2173	0.637	47	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3]O)(H)	109.4610	0.882	8	109.4610	0.777	8	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4,5]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4,5]O)(H)	109.3870	0.000	1	109.3870	0.000	1	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4,6]O)(H)	109.7318	1.575	4	109.7318	2.480	4	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4]O)(H)	109.2255	0.670	2	109.2255	0.448	2	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5,6]O)(H)	109.5600	0.000	1	109.5600	0.000	1	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]O)(H)	108.9017	1.397	3	108.9017	1.953	3	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]S)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]S)(H)	109.8920	0.000	1	109.8920	0.000	1	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]O)(H)	109.7908	1.513	16	109.7908	2.288	16	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6,6]O)(H)	108.1080	0.000	1	108.1080	0.000	1	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]O)(H)	109.4427	1.120	4	109.4427	1.255	4	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]C)(H)	108.6010	0.000	1	108.6010	0.000	1	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]N)(H)	108.4507	0.826	4	108.4507	0.682	4	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(H)	109.4909	0.818	63	109.4909	0.669	63	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]S)(H)	109.2765	0.228	2	109.2765	0.052	2	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHN)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHN)(H)	108.4440	0.000	1	108.4440	0.000	1	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNO)(H)	110.2150	1.252	23	110.2150	1.567	23	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNS)(H)	109.0486	1.072	12	109.0486	1.148	12	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CN[3]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CN[3]O)(H)	108.5790	0.000	1	108.5790	0.000	1	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CN[6,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CN[6,6]O)(H)	109.5975	0.695	2	109.5975	0.483	2	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CN[6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CN[6]O)(H)	109.9277	0.503	3	109.9277	0.253	3	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(COO)(H)	109.3310	1.276	8	109.3310	1.627	8	109.4004	1.103	243	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCC)(O)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCC)(O)	108.9843	0.679	4	108.9843	0.461	4	109.1688	0.516	5	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCH)(O)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCH)(O)	109.9070	0.000	1	109.9070	0.000	1	109.1688	0.516	5	109.5115	1.163	282	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:2:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CNO)(OH)	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CNO)(OH)	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	109.7080	0.000	1	109.7080	0.000	1	111.1097	2.569	4	111.1097	2.569	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)2	111.5770	1.595	3	111.5770	2.543	3	111.1097	2.569	4	111.1097	2.569	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]O)(CH3)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]O)(CH3)	110.4770	0.636	2	110.4770	0.405	2	111.0240	0.976	6	111.0240	0.976	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]O)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]O)(CCHH)	112.0350	0.000	1	112.0350	0.000	1	111.0240	0.976	6	111.0240	0.976	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(CCCH)	109.8940	0.000	1	109.8940	0.000	1	111.0240	0.976	6	111.0240	0.976	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(CCHH)	111.6305	0.919	2	111.6305	0.844	2	111.0240	0.976	6	111.0240	0.976	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CN[5]O)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CN[5]O)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(SC[6a]OO)(H)	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(SC[6a]OO)(H)	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C(CC[6a]HN)(Br)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C(CC[6a]HN)(Br)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(H)	107.4960	0.000	1	107.4960	0.000	1	108.8918	2.345	5	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(H)	108.2070	0.000	1	108.2070	0.000	1	108.8918	2.345	5	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(H)	107.8070	0.000	1	107.8070	0.000	1	108.8918	2.345	5	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]HH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]HH)(H)	109.8510	0.000	1	109.8510	0.000	1	108.8918	2.345	5	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]C[5]H)(CC[6a]CH)(H)	111.0980	0.000	1	111.0980	0.000	1	108.8918	2.345	5	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PCOS)(H)	109.3610	0.000	1	109.3610	0.000	1	109.3903	0.865	11	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2B)(H)	109.2490	0.000	1	109.2490	0.000	1	109.3903	0.865	11	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2O)(H)	110.5490	0.000	1	110.5490	0.000	1	109.3903	0.865	11	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]CO)(H)	110.5680	0.000	1	110.5680	0.000	1	109.3903	0.865	11	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PNNO)(H)	109.7093	1.212	3	109.7093	1.470	3	109.3903	0.865	11	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PO3)(H)	108.6095	0.266	4	108.6095	0.071	4	109.3903	0.865	11	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)(H)	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	109.4305	1.178	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(CCO)	110.5911	1.362	18	110.5911	1.855	18	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(CCS)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(CCS)	110.0115	1.370	2	110.0115	1.876	2	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]2H)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]2H)(CC[6a]CH)(CCO)	110.6120	0.735	2	110.6120	0.541	2	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(CCO)	112.4140	0.000	1	112.4140	0.000	1	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(CCO)	111.3511	1.684	11	111.3511	2.837	11	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	109.7110	0.000	1	109.7110	0.000	1	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)(CCO)	109.9220	0.000	2	109.9220	0.000	2	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(CC[6]O)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(CC[6]O)	110.7757	0.912	6	110.7757	0.832	6	110.7761	1.839	43	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(POO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(POO)	111.7092	0.888	4	111.7092	0.789	4	111.7092	0.789	4	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PCOO)(COO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PCOO)(COO)	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	110.8658	1.766	48	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHHN)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHHN)2	114.3030	0.000	1	114.3030	0.000	1	114.2657	0.027	4	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)3	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)3	114.2533	0.197	3	114.2533	0.039	3	114.2657	0.027	4	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PPdOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PPdOO)	112.6400	0.307	2	112.6400	0.094	2	112.4644	1.405	17	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PRuOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PRuOO)	112.0290	0.000	1	112.0290	0.000	1	112.4644	1.405	17	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PC[6a]2O)	112.3570	0.000	1	112.3570	0.000	1	112.4644	1.405	17	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PIrOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PIrOO)	111.6913	1.474	3	111.6913	2.173	3	112.4644	1.405	17	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PNiOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PNiOO)	112.7180	0.267	2	112.7180	0.071	2	112.4644	1.405	17	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PRhOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PRhOO)	112.7149	1.478	8	112.7149	2.184	8	112.4644	1.405	17	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)2	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	111.2880	0.000	1	111.2880	0.000	1	110.2940	1.976	2	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	109.3000	0.000	1	109.3000	0.000	1	110.2940	1.976	2	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	111.5320	0.000	1	111.5320	0.000	1	111.5780	0.004	2	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	111.6240	0.000	1	111.6240	0.000	1	111.5780	0.004	2	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:	C(NP[4]C)(CH3)(CHH)(H)	C(CCHN)(H)3	N(P[4]C[4,6a]2O)(CCCH)2	C(NP[4]C)(CH3)(CHH)(H)	C(CCHN)(H)3	N(P[4]C[4,6a]2O)(CCCH)2	112.5860	0.000	1	112.5860	0.000	1	112.5860	0.000	1	112.4990	1.868	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[5,5,6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[5,5,6]O)(CC[6a]CH)(H)	109.3570	0.000	1	109.3570	0.000	1	108.7595	1.196	4	109.4554	1.265	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]C[5])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]C[5])(CC[6a]CH)(H)	108.5603	1.247	3	108.5603	1.555	3	108.7595	1.196	4	109.4554	1.265	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(CCH)(H)	C(CCHN)(OC)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(CCH)(H)	C(CCHN)(OC)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	109.8810	0.507	3	109.8810	0.257	3	110.1513	0.464	4	109.4554	1.265	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	N(C[6a]N[6a]2)(CCCH)(H)	110.9620	0.000	1	110.9620	0.000	1	110.1513	0.464	4	109.4554	1.265	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CN[5]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(COO)(H)	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(COO)(H)	111.2400	0.000	1	111.2400	0.000	1	111.2350	0.026	3	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SS)(H)2	N(CCCH)(COO)(H)	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SS)(H)2	N(CCCH)(COO)(H)	111.2325	0.228	2	111.2325	0.052	2	111.2350	0.026	3	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NP)(H)2	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NP)(H)2	N(CC[6a]CH)(CNS)(H)	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OC[3])(H)2	N(CC[6a]CH)(CC[3]O)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OC[3])(H)2	N(CC[6a]CH)(CC[3]O)(H)	111.1810	0.000	1	111.1810	0.000	1	109.6729	3.126	13	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCO)(H)	108.6600	0.922	2	108.6600	0.850	2	109.6729	3.126	13	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[4]O)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[4]O)(H)	109.2860	1.728	2	109.2860	2.987	2	109.6729	3.126	13	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6]H)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6]H)(H)	108.1120	0.000	1	108.1120	0.000	1	109.6729	3.126	13	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	110.0804	2.060	7	110.0804	4.243	7	109.6729	3.126	13	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C(CC[6a]HN)(OC)(H)2	N(CC[6a]CH)(CCH)(O)	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C(CC[6a]HN)(OC)(H)2	N(CC[6a]CH)(CCH)(O)	108.4250	1.286	2	108.4250	1.653	2	108.4250	1.653	2	109.7564	2.880	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6a]O)(CCCH)	110.9490	0.109	2	110.9490	0.012	2	110.9490	0.012	2	110.9490	0.012	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCHH)(CCO)	109.7487	0.574	3	109.7487	0.329	3	109.7487	0.329	3	109.7487	0.329	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(SC[6a]OO)(CSnCH)	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(SC[6a]OO)(CSnCH)	110.1550	0.566	2	110.1550	0.320	2	110.1550	0.320	2	110.1550	0.320	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:2:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-2:N-2:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CC[6a])(NN)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CC[6a])(NN)(H)	N(CC[6a]CH)(COO)(H)	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-2:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C(CC[6a]HN)(SC[6a])(CNO)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C(CC[6a]HN)(SC[6a])(CNO)(H)	N(CC[6a]CH)(COO)(H)	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:2:4:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:S-2:C-4:H-1:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C(CC[6a]HN)(SC[6a])(CCHH)(H)	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C(CC[6a]HN)(SC[6a])(CCHH)(H)	N(CC[6a]CH)(SC[6a]OO)(CCHH)	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)(COO)(H)	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)(COO)(H)	110.5627	1.890	23	110.5627	3.572	23	110.5627	3.572	23	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CCH)(Cl)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CCH)(Cl)(H)	N(CC[6a]CH)(COO)(H)	110.6750	0.000	1	110.6750	0.000	1	112.7264	2.032	5	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	N(CC[6a]CH)(COO)(H)	113.2392	0.978	4	113.2392	0.956	4	112.7264	2.032	5	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(CCC)(H)	113.9680	0.000	1	113.9680	0.000	1	111.6226	7.233	8	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	108.8850	0.000	1	108.8850	0.000	1	111.6226	7.233	8	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(H)2	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(H)2	N(CC[6a]CH)(CC[5]O)(H)	114.9830	1.625	2	114.9830	2.640	2	111.6226	7.233	8	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CCO)(H)	109.9500	0.000	1	109.9500	0.000	1	111.6226	7.233	8	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CC[5]O)(H)	109.4350	0.000	1	109.4350	0.000	1	111.6226	7.233	8	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CC[6]H)(H)	111.3320	0.000	1	111.3320	0.000	1	111.6226	7.233	8	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C(CC[6a]HN)(CCS)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C(CC[6a]HN)(CCS)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	109.4450	0.000	1	109.4450	0.000	1	111.6226	7.233	8	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(CC[6a]CH)(NCH)(H)	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCF)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCF)(H)2	N(CC[6a]CH)(SCO)(H)	106.8340	0.000	1	106.8340	0.000	1	107.8850	2.209	2	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(SCO)(H)	108.9360	0.000	1	108.9360	0.000	1	107.8850	2.209	2	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:Br-1:Br-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C(CC[6a]HN)(NOO)(Br)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C(CC[6a]HN)(NOO)(Br)2	N(CC[6a]CH)(CCO)(H)	108.7570	0.000	1	108.7570	0.000	1	109.1762	0.275	4	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:Br-1:Br-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C(CC[6a]HN)(NOO)(Br)2	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C(CC[6a]HN)(NOO)(Br)2	N(CC[6a]CH)(COO)(H)	109.3160	0.543	3	109.3160	0.295	3	109.1762	0.275	4	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C(CC[6a]HN)(NOO)(H)2	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C(CC[6a]HN)(NOO)(H)2	N(CC[6a]CH)(NCH)(H)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	N[5]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCHH)(NCH)(H)	C(CN[5]HN)(CCC)(H)2	N(CN[5]CH)(CNO)(H)	C(N[5]C[5]2)(CCHH)(NCH)(H)	C(CN[5]HN)(CCC)(H)2	N(CN[5]CH)(CNO)(H)	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	110.7677	4.433	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	C(CC[5a]HN)(CC[5a]O)(H)2	N(CC[5a]CH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	C(CC[5a]HN)(CC[5a]O)(H)2	N(CC[5a]CH)(COO)(OH)	110.2705	0.142	2	110.2705	0.020	2	110.2705	0.020	2	110.2705	0.020	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CCH)(NCH)	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CCH)(NCH)	108.4810	0.882	2	108.4810	0.779	2	108.4810	0.779	2	108.4810	0.779	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	108.1373	10.711	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(CCHH)(H)	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	108.1373	10.711	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NC[6a]2)(H)2	N(CC[6a]CH)(SCOO)(H)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NC[6a]2)(H)2	N(CC[6a]CH)(SCOO)(H)	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	108.1373	10.711	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:N-2:	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C(CC[6a]HN)(NHS)(H)2	N(CC[6a]CH)(SC[6a]OO)(NC)	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C(CC[6a]HN)(NHS)(H)2	N(CC[6a]CH)(SC[6a]OO)(NC)	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:3:	C[5a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C(CC[5a]HN)(COO)(H)2	N(CC[5a]CH)(CCHH)(CCO)	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C(CC[5a]HN)(COO)(H)2	N(CC[5a]CH)(CCHH)(CCO)	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	112.1830	1.870	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CC[4]H)(H)2	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CC[4]H)(H)2	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	112.1830	1.870	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OC)(H)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OC)(H)	N(CC[6a]CH)(CC[6a]O)(H)	109.4610	0.000	1	109.4610	0.000	1	109.5483	0.550	9	109.3668	0.819	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(CCO)(H)	109.5395	0.028	2	109.5395	0.001	2	109.5483	0.550	9	109.3668	0.819	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(CC[5a]O)(H)	109.6470	0.000	1	109.6470	0.000	1	109.5483	0.550	9	109.3668	0.819	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(COO)(H)	109.5496	1.047	5	109.5496	1.096	5	109.5483	0.550	9	109.3668	0.819	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OC)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OC)(H)	N(CC[6a]CH)(SCO)(H)	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	109.3668	0.819	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	111.2460	1.007	2	111.2460	1.014	2	111.2460	1.014	2	109.9533	5.520	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	109.9533	5.520	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:2:2:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-2:O-2:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C(CC[6a]HN)(COO)(CN)(OC)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C(CC[6a]HN)(COO)(CN)(OC)	N(CC[6a]CH)(COO)(H)	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCO)2(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCO)2(H)	N(CC[6a]CH)(COO)(H)	109.8650	0.000	1	109.8650	0.000	1	109.1807	0.351	3	109.8028	1.782	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCO)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCO)(H)	N(CC[6a]CH)(COO)(H)	108.8385	0.005	2	108.8385	0.000	2	109.1807	0.351	3	109.8028	1.782	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NOO)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NOO)(H)	N(CC[6a]CH)(COO)(H)	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	109.8028	1.782	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(COO)2(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(COO)2(H)	N(CC[6a]CH)(SC[6a]OO)(H)	105.8310	0.000	1	105.8310	0.000	1	105.8310	0.000	1	105.8310	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:F-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(F)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(F)	N(CC[6a]CH)(COO)(H)	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	110.4659	1.933	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	N(CC[6a]CH)(CCO)(H)	108.9467	0.249	3	108.9467	0.062	3	110.4021	2.016	14	110.4659	1.933	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	N(CC[6a]CH)(COO)(H)	110.4393	1.320	3	110.4393	1.741	3	110.4021	2.016	14	110.4659	1.933	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N(CC[6a]CH)(COO)(H)	112.1217	0.232	3	112.1217	0.054	3	110.4021	2.016	14	110.4659	1.933	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	109.1440	0.733	2	109.1440	0.537	2	110.4021	2.016	14	110.4659	1.933	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N(CC[6a]CH)(COO)(H)	110.9393	1.161	3	110.9393	1.349	3	110.4021	2.016	14	110.4659	1.933	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.9515	1.736	2	107.9515	3.014	2	107.9515	3.014	2	107.9515	3.014	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.1160	0.000	1	109.1160	0.000	1	109.5490	0.375	2	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.9820	0.000	1	109.9820	0.000	1	109.5490	0.375	2	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C(C[6]C[6]2H)(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C(C[6]C[6]2H)(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[4a]-3:C-4:H-1:	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	N(C[4a]C[4a]2)(CCCH)(H)	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	N(C[4a]C[4a]2)(CCCH)(H)	109.6740	0.000	1	109.6740	0.000	1	109.8625	0.071	2	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[4a]-3:C-4:H-1:	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHN)(CHHS)(H)2	N(C[4a]C[4a]2)(CCCH)(H)	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHN)(CHHS)(H)2	N(C[4a]C[4a]2)(CCCH)(H)	110.0510	0.000	1	110.0510	0.000	1	109.8625	0.071	2	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHN)(CCHO)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHN)(CCHO)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	111.4740	0.154	3	111.4740	0.024	3	112.1259	0.535	8	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	N(C[6a]N[6a]2)(CCCH)(H)	111.7410	0.000	1	111.7410	0.000	1	112.1259	0.535	8	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CCHO)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CCHO)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	112.7900	0.645	3	112.7900	0.416	3	112.1259	0.535	8	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	N(C[6a]N[6a]2)(CCCH)(H)	112.4740	0.000	1	112.4740	0.000	1	112.1259	0.535	8	110.9369	2.691	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CCN)(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CCN)(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	112.0480	0.000	1	112.0480	0.000	1	112.6735	0.783	2	112.6735	0.783	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	113.2990	0.000	1	113.2990	0.000	1	112.6735	0.783	2	112.6735	0.783	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]H)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]H)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.7160	0.000	1	111.7160	0.000	1	111.5907	0.162	3	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CN[5]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	111.9150	0.000	1	111.9150	0.000	1	111.5907	0.162	3	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[6]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CN[6]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.1410	0.000	1	111.1410	0.000	1	111.5907	0.162	3	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(COO)(H)	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(COO)(H)	112.2350	0.000	1	112.2350	0.000	1	112.2350	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	N(CC[5]CH)(CC[6a]O)(H)	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	N(CC[5]CH)(CC[6a]O)(H)	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[5]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CC[5]HN)(H)2	N(CC[5]CH)(CC[5a]O)(H)	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CC[5]HN)(H)2	N(CC[5]CH)(CC[5a]O)(H)	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HH)(H)2	N(CC[5a]CH)(CCO)(H)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HH)(H)2	N(CC[5a]CH)(CCO)(H)	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	N(CC[6]CH)(COO)(H)	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	N(CC[6]CH)(COO)(H)	114.0800	0.000	1	114.0800	0.000	1	114.0800	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	N(CC[6a]CH)(CCO)(H)	110.4630	0.000	1	110.4630	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	109.1573	0.551	4	109.1573	0.304	4	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CB[5]HH)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CB[5]HH)(H)2	N(CC[6a]CH)(CCO)(H)	108.5830	0.000	1	108.5830	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC3)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC3)(H)2	N(CC[6a]CH)(CCO)(H)	112.3960	0.000	1	112.3960	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCCH)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCCH)(H)2	N(CC[6a]CH)(CCO)(H)	107.7480	0.000	1	107.7480	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CCO)(H)	109.3495	0.623	2	109.3495	0.388	2	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(COO)(H)	110.2540	0.000	1	110.2540	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	N(CC[6a]CH)(COO)(H)	113.0090	0.000	1	113.0090	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CClHH)(H)2	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CClHH)(H)2	N(CC[6a]CH)(COO)(H)	109.3210	0.000	1	109.3210	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CF3)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CF3)(H)2	N(CC[6a]CH)(CCO)(H)	109.9520	0.000	1	109.9520	0.000	1	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CFFH)(H)2	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CFFH)(H)2	N(CC[6a]CH)(CCO)(H)	110.0575	0.301	2	110.0575	0.090	2	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	109.1005	0.037	2	109.1005	0.001	2	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHS)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHS)(H)2	N(CC[6a]CH)(CC[6a]O)(H)	109.4720	0.069	2	109.4720	0.005	2	109.7157	1.488	20	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SCO)(H)	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	N[3]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	C(CN[3]HN)(CCHH)(H)2	N(CN[3]CH)(COO)(H)	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	C(CN[3]HN)(CCHH)(H)2	N(CN[3]CH)(COO)(H)	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	N[5]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CN[5]HN)(CH3)(Br)(H)	N(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CN[5]HN)(CH3)(Br)(H)	N(CN[5]CH)(COO)(H)	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.4446	2.389	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CC[6a]O)(NCC)	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	110.9977	4.244	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(PNNO)(H)	112.0285	1.453	2	112.0285	2.112	2	112.0285	2.112	2	110.9977	4.244	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)2	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	112.3930	1.563	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CC[6a]HN)(CH3)(F)(H)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CC[6a]HN)(CH3)(F)(H)	N(CC[6a]CH)(SC[6a]OO)2	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	112.3930	1.563	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:2:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHO)(COO)(H)	C(CCCH)(CCHN)(OH)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCCH)(CCHN)(OH)(H)	N(C[6a]C[6a]2)(CCCH)(H)	110.8450	0.000	1	110.8450	0.000	1	111.5540	1.005	2	111.5540	1.005	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:2:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHN)(CH3)(OH)(H)	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHN)(CH3)(OH)(H)	N(C[6a]N[6a]2)(CCCH)(H)	112.2630	0.000	1	112.2630	0.000	1	111.5540	1.005	2	111.5540	1.005	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(COO)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(COO)(H)	111.7655	0.796	4	111.7655	0.634	4	111.5175	2.597	6	111.5175	2.597	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(COO)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(COO)(H)	108.7470	0.000	1	108.7470	0.000	1	111.5175	2.597	6	111.5175	2.597	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OP)(H)	N(CCCH)(COO)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OP)(H)	N(CCCH)(COO)(H)	113.2960	0.000	1	113.2960	0.000	1	111.5175	2.597	6	111.5175	2.597	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.2805	0.513	4	108.2805	0.263	4	108.2805	0.263	4	108.2805	0.263	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CC[6a]HN)(CC3)(OH)(H)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CC[6a]HN)(CC3)(OH)(H)	N(CC[6a]CH)2(PC[6a]2O)	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:	C(CN[6]O)(CCHN)(NCH)(H)	C(CCHN)(CH3)(NCH)(H)	N(CC[6a]O)(CCCH)(H)	C(CN[6]O)(CCHN)(NCH)(H)	C(CCHN)(CH3)(NCH)(H)	N(CC[6a]O)(CCCH)(H)	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	110.0180	3.656	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHN)(CH3)(CCO)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHN)(CH3)(CCO)(H)	N(C[6a]C[6a]2)(CCCH)(H)	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	110.0180	3.656	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NHS)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NHS)(H)	N(C[6a]C[6a]2)(CCCH)(H)	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	110.0180	3.656	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]S)(CCCH)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	N(CCCH)(COO)(H)	C(CN[5]S)(CCCH)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	N(CCCH)(COO)(H)	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	110.1092	2.065	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	N(CC[6a]CH)(CCO)(H)	110.2148	1.229	4	110.2148	1.511	4	110.2148	1.511	4	110.1092	2.065	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	N(CC[6a]CH)(COO)(H)	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	110.1092	2.065	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CC[6a]CH)2(H)	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	108.4670	5.560	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.4937	0.937	3	107.4937	0.878	3	107.4937	0.878	3	108.4670	5.560	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	N(CC[6a]CH)2(H)	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	108.4670	5.560	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	106.1230	0.000	1	106.1230	0.000	1	106.1230	0.000	1	108.4670	5.560	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	N(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	N(CC[6a]CH)(CH3)(OC)	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:P-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CC[6a]CH)(PC[6a]2O)(COO)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CC[6a]CH)(PC[6a]2O)(COO)	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	112.6463	0.871	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCO)	112.7610	0.000	1	112.7610	0.000	1	113.1390	0.286	2	112.6463	0.871	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCO)	113.5170	0.000	1	113.5170	0.000	1	113.1390	0.286	2	112.6463	0.871	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:2:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:O-2:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(OH)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(OH)	N(CC[6a]CH)(SCO)(H)	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:3:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	N(CC[6a]CH)(COO)(H)	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:3:3:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	N(CC[6a]CH)(PO3)(H)	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CN[5]O)(CCCH)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CC[5]O)(CCCH)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CC[5]O)(CCCH)(H)	112.7150	0.000	1	112.7150	0.000	1	110.8303	2.671	3	111.5087	1.767	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CN[5]O)(CCCH)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	109.8880	0.119	2	109.8880	0.014	2	110.8303	2.671	3	111.5087	1.767	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	N(C[5]C[5]2)(CCCH)(H)	111.2560	0.117	2	111.2560	0.014	2	111.2560	0.014	2	111.5087	1.767	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[6a]C[6a]N[6a])(CCCH)(H)	112.7790	0.713	2	112.7790	0.508	2	112.7790	0.508	2	111.5087	1.767	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:2:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:	C(CN[5]O)(CCCH)(NHO)(H)	C(CC[6]HH)(CCHN)(CH3)(H)	N(CCCH)(OC)(H)	C(CN[5]O)(CCCH)(NHO)(H)	C(CC[6]HH)(CCHN)(CH3)(H)	N(CCCH)(OC)(H)	107.9540	2.070	2	107.9540	4.287	2	107.9540	4.287	2	107.9540	4.287	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CF3)(H)	N(CCCH)(COO)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CF3)(H)	N(CCCH)(COO)(H)	111.2350	0.000	1	111.2350	0.000	1	112.4235	0.732	10	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	112.8280	0.000	1	112.8280	0.000	1	112.4235	0.732	10	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CF3)(CH3)(H)	N(CCCH)(COO)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CF3)(CH3)(H)	N(CCCH)(COO)(H)	112.6170	0.000	1	112.6170	0.000	1	112.4235	0.732	10	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	112.4235	0.962	6	112.4235	0.925	6	112.4235	0.732	10	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	113.0140	0.000	1	113.0140	0.000	1	112.4235	0.732	10	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CH3)(H)	N(CC[5]CH)(CC[5]O)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CH3)(H)	N(CC[5]CH)(CC[5]O)(H)	111.4500	2.796	3	111.4500	7.815	3	111.5774	2.650	7	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CH3)(H)	N(CC[5]CH)(CC[5a]O)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CH3)(H)	N(CC[5]CH)(CC[5a]O)(H)	111.5657	0.149	3	111.5657	0.022	3	111.5774	2.650	7	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CH3)2(H)	N(CC[5]CH)(CC[6a]O)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CH3)2(H)	N(CC[5]CH)(CC[6a]O)(H)	111.9950	0.000	1	111.9950	0.000	1	111.5774	2.650	7	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	N(CC[5a]CH)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	N(CC[5a]CH)(CC[6a]O)(H)	113.3628	0.935	4	113.3628	0.873	4	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	N(CC[5a]CH)(COO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	N(CC[5a]CH)(COO)(H)	113.7760	0.000	1	113.7760	0.000	1	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CCO)(H)	111.4902	1.294	6	111.4902	1.673	6	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CC[6a]O)(H)	109.3730	1.999	3	109.3730	3.997	3	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(COO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(COO)(H)	112.3930	0.000	1	112.3930	0.000	1	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CC[6a]O)(H)	108.8420	0.000	1	108.8420	0.000	1	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CCO)(H)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CCO)(H)	110.8265	0.561	2	110.8265	0.314	2	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CCO)(H)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CCO)(H)	111.5950	0.000	1	111.5950	0.000	1	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CCO)(H)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CCO)(H)	113.5667	1.006	3	113.5667	1.012	3	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CC[5]O)(H)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CC[5]O)(H)	112.1502	2.015	5	112.1502	4.062	5	111.8600	3.477	27	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	109.7094	1.425	13	109.7094	2.030	13	110.4401	3.599	18	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CHHN)(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CHHN)(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	111.3220	0.000	1	111.3220	0.000	1	110.4401	3.599	18	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)2(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)2(CH3)(H)	N(CC[6a]CH)(CC[6a]O)(H)	112.5943	1.875	4	112.5943	3.514	4	110.4401	3.599	18	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SCO)(H)	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:C-4:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	N(CC[6a]CH)(SCO)(H)	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:P-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	N(CC[6a]CH)(CC[6a]O)(H)	111.7380	0.000	1	111.7380	0.000	1	111.7380	0.000	1	111.4699	3.412	65	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C(CC[5]HN)(CH3)2(H)	N(CC[5]CH)(PIrCC)(H)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C(CC[5]HN)(CH3)2(H)	N(CC[5]CH)(PIrCC)(H)	113.1990	0.000	1	113.1990	0.000	1	113.1990	0.000	1	110.9700	9.937	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	110.9700	9.937	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:3:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CN[5]O)(CCCH)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	C(CN[5]O)(CCCH)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	113.1160	1.558	2	113.1160	2.429	2	113.1160	2.429	2	112.9220	1.327	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SC[6a]OO)(CCC)	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	112.9220	1.327	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:4:	N-3:C-4:B-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CCCH)(BCN)(H)	C(CBHN)(CCHH)2(H)	N(C[5]C[5]2C)(CBCH)(CCCH)	C(NC[5]C)(CCCH)(BCN)(H)	C(CBHN)(CCHH)2(H)	N(C[5]C[5]2C)(CBCH)(CCCH)	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:2:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:C-4:C-2:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	N(CC[6a]CH)(COO)(H)	110.6983	1.096	3	110.6983	1.201	3	110.6983	1.201	3	110.6983	1.201	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:3:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C(CC[6a]HN)(CH3)2(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C(CC[6a]HN)(CH3)2(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	111.3060	0.492	3	111.3060	0.242	3	111.3060	0.242	3	111.3060	0.242	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:3:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:B-3:C-4:	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(CC[6a]HN)(CHHP)(CH3)(CCH)	N(CC[6a]CH)(BC[6a]2)(CH3)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(CC[6a]HN)(CHHP)(CH3)(CCH)	N(CC[6a]CH)(BC[6a]2)(CH3)	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:4:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	113.7500	0.000	1	113.7500	0.000	1	112.7157	0.809	3	112.7157	0.809	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:1:	4:4:4:4:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(COO)(H)	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(COO)(H)	112.1985	0.111	2	112.1985	0.012	2	112.7157	0.809	3	112.7157	0.809	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:2:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(COO)(H)	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(COO)(H)	106.4540	0.000	1	106.4540	0.000	1	106.4540	0.000	1	106.4540	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:2:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C(CC[6a]CN)(CH3)(H)2	N(CC[6a]CC)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C(CC[6a]CN)(CH3)(H)2	N(CC[6a]CC)(CC[6a]HH)(H)	108.8305	0.865	2	108.8305	0.748	2	108.8305	0.748	2	108.8305	0.748	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:3:	3:4:1:1:	3:4:4:	N-3:C-4:C-3:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(CCO)(COO)	C(NC[6a]C)(CCCN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(NC[6a]C)(CHHN)(CCO)(COO)	C(NC[6a]C)(CCCN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:3:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	N(CC[6a]CC)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	N(CC[6a]CC)(COO)(H)	110.6985	2.717	2	110.6985	7.384	2	110.6985	7.384	2	110.6985	7.384	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:3:	4:1:1:1:	4:3:3:	C[6a]-3:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CH3)(CHO)(NCN)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(COO)(NCH)	C(C[6a]C[6a]2)(CH3)(CHO)(NCN)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(COO)(NCH)	110.9970	0.000	1	110.9970	0.000	1	110.9970	0.000	1	110.9970	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:3:	4:2:1:1:	4:1:1:	N[5a]-3:C-4:N-3:N-3:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(N[5a]N[5a]2)(CHHO)(NOO)2	C(CN[5a]NN)(OH)(H)2	N(CN[5a]CN)(O)2	C(N[5a]N[5a]2)(CHHO)(NOO)2	C(CN[5a]NN)(OH)(H)2	N(CN[5a]CN)(O)2	110.1070	2.171	2	110.1070	4.712	2	110.1070	4.712	2	110.1070	4.712	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:3:	4:2:1:1:	4:4:1:	C[6a]-3:C-4:C-3:N-3:	C-4:C-2:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	C(CC[6a]CN)(CN)(H)2	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	C(CC[6a]CN)(CN)(H)2	N(CC[6a]CC)(PC[6a]2O)(H)	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:3:3:	4:4:1:1:	4:1:1:	C[5a]-3:C-4:N-3:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(C[5a]C[5a]2)(CCHH)(NOO)2	C(CC[5a]NN)(CCHH)(H)2	N(CC[5a]CN)(O)2	C(C[5a]C[5a]2)(CCHH)(NOO)2	C(CC[5a]NN)(CCHH)(H)2	N(CC[5a]CN)(O)2	108.5715	3.466	2	108.5715	12.010	2	108.5715	12.010	2	108.5715	12.010	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	3:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-3:C-4:Cl-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CClCH)(CFFS)(H)	C(CC[6a]O)(CCHN)(Cl)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CClCH)(CFFS)(H)	C(CC[6a]O)(CCHN)(Cl)(H)	N(C[6a]C[6a]2)(CCCH)(H)	115.6070	0.000	1	115.6070	0.000	1	115.6070	0.000	1	115.6070	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	3:4:4:1:	3:4:1:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6,6]-3:C[4]-3:C-4:	C(NB[6,6]C[4])(CH3)2(H)	C(CCHN)(H)3	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	C(NB[6,6]C[4])(CH3)2(H)	C(CCHN)(H)3	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	111.4200	0.783	2	111.4200	0.614	2	111.4200	0.614	2	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6,6]-3:C[5a]-3:C-4:	C(NB[6,6]C[5a])(CH3)2(H)	C(CCHN)(H)3	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	C(NB[6,6]C[5a])(CH3)2(H)	C(CCHN)(H)3	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	112.2260	0.648	2	112.2260	0.420	2	112.2260	0.420	2	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:Si-3:C-4:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(SiCrN)(CCCH)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(SiCrN)(CCCH)	112.6690	0.745	4	112.6690	0.554	4	112.6336	0.379	8	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:Si-3:C-4:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(SiMoN)(CCCH)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(SiMoN)(CCCH)	112.5983	0.572	4	112.5983	0.327	4	112.6336	0.379	8	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C-4:	C(NC[6a]C[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C(NC[6a]C[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	113.4350	3.736	4	113.4350	13.956	4	113.4350	13.956	4	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	110.3030	0.000	1	110.3030	0.000	1	111.5296	1.915	7	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	111.6780	1.133	2	111.6780	1.283	2	111.5296	1.915	7	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	111.7620	1.678	4	111.7620	2.815	4	111.5296	1.915	7	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	111.9520	0.612	2	111.9520	0.375	2	111.8500	1.216	4	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)2(CCCH)	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)2(CCCH)	111.7480	1.797	2	111.7480	3.231	2	111.8500	1.216	4	112.2068	2.724	28	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:H-1:	C(NC[4]H)(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]2)(CCCH)(H)	C(NC[4]H)(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]2)(CCCH)(H)	109.5165	1.608	4	109.5165	2.587	4	109.5165	2.587	4	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]N[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]N[5])(CCCH)(H)	108.8228	0.586	12	108.8228	0.343	12	109.2666	0.988	18	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]S[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]S[5])(CCCH)(H)	110.0970	1.403	2	110.0970	1.968	2	109.2666	0.988	18	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)(H)	110.1827	1.147	4	110.1827	1.316	4	109.2666	0.988	18	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]S[5a])(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]S[5a])(CCCH)(H)	109.4633	0.531	4	109.4633	0.282	4	109.9126	4.172	8	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]N[5a]2)(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]N[5a]2)(CCCH)(H)	110.3620	2.986	4	110.3620	8.914	4	109.9126	4.172	8	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6,6a]2)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6,6a]2)(CCCH)(H)	110.1167	0.513	3	110.1167	0.263	3	109.7674	1.546	21	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]2)(CCCH)(H)	109.7018	0.888	8	109.7018	0.788	8	109.7674	1.546	21	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]S[6])(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]S[6])(CCCH)(H)	109.8670	1.573	2	109.8670	2.473	2	109.7674	1.546	21	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6,6]N[6])(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6,6]N[6])(CCCH)(H)	109.4965	2.572	2	109.4965	6.614	2	109.7674	1.546	21	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]2)(CCCH)(H)	109.7373	1.744	6	109.7373	3.043	6	109.7674	1.546	21	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	110.2693	2.892	3	110.2693	8.366	3	109.8526	2.352	59	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	107.9940	0.000	1	107.9940	0.000	1	109.8526	2.352	59	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	113.9340	0.000	1	113.9340	0.000	1	109.8526	2.352	59	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	110.0391	1.635	8	110.0391	2.672	8	109.8526	2.352	59	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	109.6594	1.325	34	109.6594	1.754	34	109.8526	2.352	59	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]N[6a])(CCCH)(H)	109.9562	1.648	6	109.9562	2.716	6	109.8526	2.352	59	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]N[6a]2)(CCCH)(H)	110.0160	1.190	6	110.0160	1.416	6	109.8526	2.352	59	109.7326	2.076	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-3:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]O[5]2)(CCCH)(CNP)	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]O[5]2)(CCCH)(CNP)	111.1775	0.499	2	111.1775	0.249	2	111.1775	0.249	2	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:N-3:	C(NC[5a]N)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]N[5a]2)(CCCH)(NOO)	C(NC[5a]N)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]N[5a]2)(CCCH)(NOO)	109.6645	2.683	2	109.6645	7.201	2	109.6645	7.201	2	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCO)	111.1637	0.914	6	111.1637	0.836	6	111.4762	1.231	37	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CHO)	110.6300	0.342	2	110.6300	0.117	2	111.4762	1.231	37	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CNO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CNO)	110.5910	0.000	1	110.5910	0.000	1	111.4762	1.231	37	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCH)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCH)	111.6330	0.212	4	111.6330	0.045	4	111.4762	1.231	37	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCO)	111.7156	1.225	18	111.7156	1.500	18	111.4762	1.231	37	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CNN)	112.5705	1.848	2	112.5705	3.414	2	111.4762	1.231	37	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(COO)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(COO)	110.8088	0.977	4	110.8088	0.954	4	111.4762	1.231	37	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-3:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]W)(CCCH)(CNW)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]W)(CCCH)(CNW)	110.4965	1.275	4	110.4965	1.627	4	110.4965	1.627	4	111.2954	1.494	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:Br-1:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(Br)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(Br)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	110.9740	0.000	1	110.9740	0.000	1	110.9740	0.000	1	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[4,4]-3:C-4:C-4:	C(NB[4,4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4,4]Si[4x4]2)(CCCH)2	C(NB[4,4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4,4]Si[4x4]2)(CCCH)2	111.7115	0.503	4	111.7115	0.253	4	111.7115	0.253	4	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[4]-3:C-4:C-4:	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]N[4,4]N[4])(CCCH)2	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]N[4,4]N[4])(CCCH)2	114.1403	1.946	4	114.1403	3.786	4	112.4092	2.834	16	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[4]-3:C-4:C-4:	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]N[4]2)(CCCH)2	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]N[4]2)(CCCH)2	111.8322	1.174	12	111.8322	1.379	12	112.4092	2.834	16	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5,6a]P[5])(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5,6a]P[5])(CCCH)2	111.7927	0.563	4	111.7927	0.316	4	113.1997	2.253	36	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5]2)(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5]2)(CCCH)2	112.5580	1.391	4	112.5580	1.934	4	113.1997	2.253	36	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5]N[5])(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5]N[5])(CCCH)2	112.4693	0.844	4	112.4693	0.713	4	113.1997	2.253	36	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5]O[5])(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5]O[5])(CCCH)2	112.6797	0.738	12	112.6797	0.545	12	113.1997	2.253	36	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5x3,6x5,20x6]2)(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5x3,6x5,20x6]2)(CCCH)2	113.6735	1.749	4	113.6735	3.058	4	113.1997	2.253	36	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]N[5]2)(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]N[5]2)(CCCH)2	115.1325	1.139	8	115.1325	1.297	8	113.1997	2.253	36	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-3:C-4:C-4:	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]N[6]2)(CCCH)2	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]N[6]2)(CCCH)2	114.9698	1.135	12	114.9698	1.289	12	114.9698	1.289	12	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6a]-3:C-4:C-4:	C(NB[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6a]C[6a]2)(CCCH)2	C(NB[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6a]C[6a]2)(CCCH)2	112.6987	0.891	4	112.6987	0.793	4	112.6987	0.793	4	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:Si-4:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CC[3x3,4,3x5,14x6]N)(CCCH)(SiC3)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CC[3x3,4,3x5,14x6]N)(CCCH)(SiC3)	112.8980	0.922	2	112.8980	0.850	2	112.8980	0.850	2	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:Ge-4:C-4:	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeCo2N)(CCCH)	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeCo2N)(CCCH)	114.4380	1.505	2	114.4380	2.264	2	112.6551	3.140	14	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:Ge-4:C-4:	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeMnCF)(CCCH)	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeMnCF)(CCCH)	114.4500	3.642	2	114.4500	13.261	2	112.6551	3.140	14	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:Ge-4:C-4:	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeRu2C)(CCCH)	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeRu2C)(CCCH)	111.5645	0.445	2	111.5645	0.198	2	112.6551	3.140	14	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:Ge-4:C-4:	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeRu2N)(CCCH)	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]N)(GeRu2N)(CCCH)	112.0332	0.988	8	112.0332	0.976	8	112.6551	3.140	14	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]2)(CCCH)2	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]2)(CCCH)2	111.0627	0.661	254	111.0627	0.437	254	111.0705	0.438	257	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]P[3])(CCCH)2	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]P[3])(CCCH)2	111.7300	0.432	3	111.7300	0.186	3	111.0705	0.438	257	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]2)(CCCH)2	113.9785	1.694	36	113.9785	2.869	36	113.3950	3.389	48	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	N(C[4]O[4]S[4])(CCCH)2	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	N(C[4]O[4]S[4])(CCCH)2	111.6445	0.947	12	111.6445	0.897	12	113.3950	3.389	48	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]P[5])(CCCH)2	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]P[5])(CCCH)2	112.7485	0.826	4	112.7485	0.682	4	111.6229	1.739	20	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)2	112.1545	1.805	4	112.1545	3.258	4	111.6229	1.739	20	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]O[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]O[5]2)(CCCH)2	111.0706	1.016	12	111.0706	1.033	12	111.6229	1.739	20	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]2)(CCCH)2	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]2)(CCCH)2	111.6130	2.181	4	111.6130	4.758	4	111.6130	4.758	4	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:S-4:C-4:	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	110.9525	2.968	2	110.9525	8.807	2	110.9525	8.807	2	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:B-4:	C(NC[6]B)(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]2)(CCCH)(BH3)	C(NC[6]B)(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]2)(CCCH)(BH3)	111.2955	3.437	2	111.2955	11.815	2	111.2955	11.815	2	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	113.8910	0.000	1	113.8910	0.000	1	112.2908	4.176	45	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	112.5843	1.330	3	112.5843	1.768	3	112.2908	4.176	45	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)	111.5757	0.678	4	111.5757	0.460	4	112.2908	4.176	45	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)2	112.2735	1.813	20	112.2735	3.286	20	112.2908	4.176	45	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]N[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]N[6a]2)(CCCH)2	112.1616	2.626	16	112.1616	6.898	16	112.2908	4.176	45	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	115.0830	0.000	1	115.0830	0.000	1	112.2908	4.176	45	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	N(P[4]N[4]2)(CCCH)2	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	N(P[4]N[4]2)(CCCH)2	111.8286	1.142	12	111.8286	1.304	12	111.8286	1.304	12	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[4]-3:C-4:C-4:	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[4]N[4]2)(CCCH)2	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[4]N[4]2)(CCCH)2	112.5675	0.507	4	112.5675	0.257	4	112.5675	0.257	4	111.8432	2.502	484	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:3:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:Ga-3:C-3:	C(NGaC)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(GaNN)(CNN)	C(NGaC)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(GaNN)(CNN)	111.2188	0.911	4	111.2188	0.831	4	111.2188	0.831	4	111.2188	0.831	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[5]-4:C-3:C-4:	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	113.1509	1.506	8	113.1509	2.269	8	113.1509	2.269	8	113.1509	2.269	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:C-4:H-1:	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6,6]C[6,6]2P)(CCCH)(H)	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6,6]C[6,6]2P)(CCCH)(H)	110.2060	1.220	2	110.2060	1.490	2	110.2060	1.490	2	110.1237	4.390	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2N)(CCCH)(H)	110.0238	2.383	8	110.0238	5.679	8	110.1073	5.198	10	110.1237	4.390	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2O)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2O)(CCCH)(H)	110.4415	2.599	2	110.4415	6.753	2	110.1073	5.198	10	110.1237	4.390	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:2:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:C-2:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(SiC3)(CP)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(SiC3)(CP)	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-3:	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[6]2Cr)(CCCH)(CCN)	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[6]2Cr)(CCCH)(CCN)	110.3134	1.046	5	110.3134	1.095	5	110.3134	1.095	5	111.5985	1.725	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:C-3:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(SiC3)(CNN)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(SiC3)(CNN)	113.1605	0.250	2	113.1605	0.062	2	113.1605	0.062	2	111.5985	1.725	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:B-3:	C(NC[5]B)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2H)(CCCH)(BCC)	C(NC[5]B)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2H)(CCCH)(BCC)	112.2050	1.266	4	112.2050	1.603	4	112.2050	1.603	4	111.5985	1.725	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-3:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]3)(CCCH)(CFeN)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]3)(CCCH)(CFeN)	111.8495	0.306	2	111.8495	0.094	2	111.8175	0.033	4	111.5985	1.725	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-3:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]HN)(CCCH)(CCN)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]HN)(CCCH)(CCN)	111.7855	0.018	2	111.7855	0.000	2	111.8175	0.033	4	111.5985	1.725	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3,3]-4:C-4:C-4:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	112.7330	0.995	4	112.7330	0.989	4	113.0500	1.291	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3,3]-4:C-4:C-4:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	113.3670	1.325	4	113.3670	1.755	4	113.0500	1.291	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]P[4]2Pd)(CCCH)2	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]P[4]2Pd)(CCCH)2	112.9385	0.167	4	112.9385	0.028	4	112.7742	0.255	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]P[4]2Pt)(CCCH)2	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	N(B[4]P[4]2Pt)(CCCH)2	112.6100	0.704	4	112.6100	0.496	4	112.7742	0.255	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-4:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5,6]N[5]Ru)(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5,6]N[5]Ru)(CCCH)2	112.6602	0.735	4	112.6602	0.541	4	112.6602	0.541	4	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[5,6]C[6]H)(CCCH)2	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[5,6]C[6]H)(CCCH)2	113.7370	1.195	4	113.7370	1.427	4	113.0355	1.233	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[6]2Cr)(CCCH)2	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[6]2Cr)(CCCH)2	112.3340	0.369	4	112.3340	0.136	4	113.0355	1.233	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Si-4:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CTiCN)(CCCH)(SiC3)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(CTiCN)(CCCH)(SiC3)	112.7350	1.295	2	112.7350	1.678	2	112.7350	1.678	2	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]2C)(CCCH)2	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]2C)(CCCH)2	114.9945	0.514	4	114.9945	0.265	4	114.9945	0.265	4	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	N(C[4]C[4]2H)(CCCH)2	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	N(C[4]C[4]2H)(CCCH)2	112.6003	1.091	4	112.6003	1.190	4	112.6003	1.190	4	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]B[5]N[5]H)(CCCH)2	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]B[5]N[5]H)(CCCH)2	112.9942	3.138	4	112.9942	9.847	4	113.7944	7.275	10	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	113.9425	3.256	2	113.9425	10.603	2	113.7944	7.275	10	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]O[5]C)(CCCH)2	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]O[5]C)(CCCH)2	114.5205	2.622	4	114.5205	6.874	4	113.7944	7.275	10	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(GeC[6a]FN)(CCCH)2	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	N(GeC[6a]FN)(CCCH)2	113.0666	0.998	8	113.0666	0.995	8	113.0666	0.995	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[3]-4:C-4:C-4:	C(NP[3]C)(CH3)2(H)	C(CCHN)(H)3	N(P[3]C[3]2Fe)(CCCH)2	C(NP[3]C)(CH3)2(H)	C(CCHN)(H)3	N(P[3]C[3]2Fe)(CCCH)2	112.3305	1.867	4	112.3305	3.484	4	112.3305	3.484	4	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	N(P[4]C[4,6a]2O)(CCCH)2	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	N(P[4]C[4,6a]2O)(CCCH)2	112.8125	0.431	2	112.8125	0.185	2	112.8125	0.185	2	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]C[5,6a]S[5]O)(CCCH)2	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]C[5,6a]S[5]O)(CCCH)2	111.8575	0.460	4	111.8575	0.212	4	112.0741	0.717	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]C[5]2N)(CCCH)2	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]C[5]2N)(CCCH)2	112.2908	1.156	4	112.2908	1.337	4	112.0741	0.717	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[5]N[5]2Li)(CCCH)2	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[5]N[5]2Li)(CCCH)2	115.4680	2.544	8	115.4680	6.470	8	115.4680	6.470	8	113.2709	3.067	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	5:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[4,5]-5:C-3:C-4:	C(NSi[4,5]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	C(NSi[4,5]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	113.9655	2.065	2	113.9655	4.266	2	113.9655	4.266	2	113.9655	4.266	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:1:1:1:	7:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[3,3]-7:P-4:C-4:	C(NNb[3,3]P)(CH3)2(H)	C(CCHN)(H)3	N(Nb[3,3]N[3]2P[3]2FeN)(PC[6a]2Fe)(CCCH)	C(NNb[3,3]P)(CH3)2(H)	C(CCHN)(H)3	N(Nb[3,3]N[3]2P[3]2FeN)(PC[6a]2Fe)(CCCH)	110.6435	2.215	2	110.6435	4.908	2	110.6435	4.908	2	110.6435	4.908	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:2:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	111.4620	0.000	2	111.4620	0.000	2	111.4620	0.000	2	111.4620	0.000	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:2:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:3:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(CCN)(H)2	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(CCN)(H)2	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CCO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CCO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	107.4180	0.000	1	107.4180	0.000	1	109.2158	1.123	5	109.2158	1.123	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	109.5780	0.424	3	109.5780	0.180	3	109.2158	1.123	5	109.2158	1.123	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CHO)	109.9270	0.000	1	109.9270	0.000	1	109.2158	1.123	5	109.2158	1.123	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:3:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(COO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(COO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	111.2790	0.708	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:3:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)2(H)	C(CCHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CHHN)2(H)	C(CCHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCCH)(CH3)	111.3407	0.904	6	111.3407	0.817	6	111.3407	0.817	6	111.2790	0.708	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:3:3:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	N(C[6a]C[6a]2)(CCCH)(H)	105.2440	0.000	1	105.2440	0.000	1	105.2440	0.000	1	105.2440	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	109.1490	0.000	1	109.1490	0.000	1	110.4565	3.419	2	110.4565	3.419	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	111.7640	0.000	1	111.7640	0.000	1	110.4565	3.419	2	110.4565	3.419	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	N(C[6]C[6,6a]2)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	N(C[6]C[6,6a]2)(CCCH)(H)	109.5175	0.521	2	109.5175	0.272	2	109.3857	0.188	3	108.8944	0.947	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	N(C[6]C[6,6a]2)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	N(C[6]C[6,6a]2)(CCCH)(H)	109.1220	0.000	1	109.1220	0.000	1	109.3857	0.188	3	108.8944	0.947	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	109.0950	0.000	1	109.0950	0.000	1	108.8953	1.047	6	108.8944	0.947	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	110.3650	0.000	1	110.3650	0.000	1	108.8953	1.047	6	108.8944	0.947	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	109.2420	0.000	2	109.2420	0.000	2	108.8953	1.047	6	108.8944	0.947	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	107.7140	0.072	2	107.7140	0.005	2	108.8953	1.047	6	108.8944	0.947	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	S-4:C-4:F-1:F-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CClCH)(CFFS)(H)	C(SC[6a]OO)(CCHN)(F)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CClCH)(CFFS)(H)	C(SC[6a]OO)(CCHN)(F)2	N(C[6a]C[6a]2)(CCCH)(H)	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	108.8944	0.947	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBHH)(CCHH)(H)	C(BC[6a]3)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CHN)	C(NC[6a]C)(CBHH)(CCHH)(H)	C(BC[6a]3)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CHN)	111.1680	1.564	2	111.1680	2.446	2	111.1680	2.446	2	111.0835	0.908	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBHH)(CCHH)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CHN)	C(NC[6a]C)(CBHH)(CCHH)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CHN)	111.0255	0.131	2	111.0255	0.017	2	111.0553	0.778	6	111.0835	0.908	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	109.7490	0.000	1	109.7490	0.000	1	111.0553	0.778	6	111.0835	0.908	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CNO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CNO)	110.5890	0.000	1	110.5890	0.000	1	111.0553	0.778	6	111.0835	0.908	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	111.6040	0.000	1	111.6040	0.000	1	111.0553	0.778	6	111.0835	0.908	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CHO)	112.3390	0.000	1	112.3390	0.000	1	111.0553	0.778	6	111.0835	0.908	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:C-4:Br-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(CHHN)(Br)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(CHHN)(Br)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	110.0555	1.505	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	110.9230	0.000	1	110.9230	0.000	1	110.9230	0.000	1	110.0555	1.505	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:2:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	N(C[6a]C[6a]2)(CCCH)(H)	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:4:1:	3:3:4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCHN)(CH3)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCHN)(CH3)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:4:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CH3)2(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CH3)2(H)	N(C[6a]C[6a]2)(CCCH)(H)	108.0135	0.040	2	108.0135	0.002	2	108.0135	0.002	2	108.0135	0.002	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:1:	4:4:4:4:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)2(H)	C(CCHN)(CH3)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)2(H)	C(CCHN)(CH3)3	N(C[6a]C[6a]2)(CCCH)(H)	108.6115	1.232	4	108.6115	1.517	4	108.6115	1.517	4	108.6115	1.517	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(CN)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CN)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	110.1725	3.741	2	110.1725	13.997	2	110.1725	13.997	2	110.1725	13.997	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	3:4:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	N(CC[6a]CC)(CCO)(H)	107.6188	3.315	4	107.6188	10.989	4	107.6188	10.989	4	107.6188	10.989	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	3:4:4:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	N(CC[6a]CC)(CCO)(H)	105.2610	0.000	1	105.2610	0.000	1	105.1220	0.039	2	105.1220	0.039	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	3:4:4:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	N(CC[6a]CC)(CCO)(H)	104.9830	0.000	1	104.9830	0.000	1	105.1220	0.039	2	105.1220	0.039	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	109.3560	2.075	3	109.3560	4.308	3	109.0794	5.474	5	109.0794	5.474	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	108.6645	3.565	2	108.6645	12.706	2	109.0794	5.474	5	109.0794	5.474	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)2(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(CCO)	C(NC[6a]C)(CH3)2(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(CCO)	109.9385	0.218	2	109.9385	0.048	2	109.9385	0.048	2	109.9385	0.048	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CH3)2(CCC)	C(CCCN)(H)3	N(C[6a]C[6a]2)(SCOO)(CC3)	C(NC[6a]S)(CH3)2(CCC)	C(CCCN)(H)3	N(C[6a]C[6a]2)(SCOO)(CC3)	108.2085	2.628	2	108.2085	6.908	2	108.2085	6.908	2	108.2085	6.908	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CH3)2(NOO)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(O)2	C(C[6a]C[6a]2)(CH3)2(NOO)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(O)2	105.9325	4.440	2	105.9325	19.713	2	107.5626	9.889	5	107.5626	9.889	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(O)2	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(O)2	108.6493	2.344	3	108.6493	5.493	3	107.5626	9.889	5	107.5626	9.889	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:2:1:	C-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:	C(CC[6a]N)(CH3)2(NHO)	C(CCCN)(H)3	N(CC3)(OC)(H)	C(CC[6a]N)(CH3)2(NHO)	C(CCCN)(H)3	N(CC3)(OC)(H)	106.0540	3.565	2	106.0540	12.711	2	106.0540	12.711	2	106.0540	12.711	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CN[5]O)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	108.3185	0.770	4	108.3185	0.593	4	108.5393	0.842	6	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CN[5]O)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	108.9810	1.359	2	108.9810	1.847	2	108.5393	0.842	6	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5a]N[5a]2)(CH3)2(NCH)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(COO)(H)	C(C[5a]N[5a]2)(CH3)2(NCH)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(COO)(H)	109.0400	4.077	2	109.0400	16.623	2	109.0400	16.623	2	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]N[6]O[6])(CH3)2(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CC[5]O)(H)	C(C[6]N[6]O[6])(CH3)2(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CC[5]O)(H)	110.3900	1.058	2	110.3900	1.119	2	110.3900	1.119	2	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	102.3670	0.000	1	102.3670	0.000	1	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	106.5530	1.170	2	106.5530	1.368	2	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	107.5760	1.520	4	107.5760	2.310	4	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[5a]O)(H)	107.4940	5.414	2	107.4940	29.307	2	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]H)(H)	108.3775	2.846	2	108.3775	8.100	2	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	108.0280	3.594	4	108.0280	12.916	4	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CNO)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CNO)(H)	107.7218	2.294	20	107.7218	5.263	20	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)(H)	108.9887	1.293	6	108.9887	1.673	6	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(H)	109.9103	0.335	8	109.9103	0.112	8	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[5a]O)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[5a]O)(H)	108.9146	1.781	8	108.9146	3.173	8	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(COO)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(COO)(H)	108.4161	1.818	8	108.4161	3.304	8	108.2450	4.955	65	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SCO)(H)	110.5120	0.000	1	110.5120	0.000	1	110.3545	0.050	2	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SCO)(H)	110.1970	0.000	1	110.1970	0.000	1	110.3545	0.050	2	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:P-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(COO)(H)	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(COO)(H)	111.1410	0.000	1	111.1410	0.000	1	111.1410	0.000	1	108.4343	4.735	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:3:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)(CCO)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(SC[6a]OO)(H)	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	110.0173	5.600	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6a]OO)(H)	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.0173	5.600	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(SCOO)(H)	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(SCOO)(H)	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	110.0173	5.600	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:2:1:1:	4:3:3:	C[6a]-3:C-4:C-4:N-3:	C-4:N-2:H-1:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C(CC[6a]CN)(NN)(H)2	N(CC[6a]CC)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C(CC[6a]CN)(NN)(H)2	N(CC[6a]CC)(CC[6a]O)(CCO)	111.5420	0.000	1	111.5420	0.000	1	111.5420	0.000	1	111.5420	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:3:1:1:	3:4:1:	N-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC3)(H)	110.2265	0.033	2	110.2265	0.001	2	110.2265	0.001	2	110.2265	0.001	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:3:1:1:	4:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CHHN)2(NOO)	C(CC[6a]CN)(NCC)(H)2	N(CC[6a]CC)(O)2	C(C[6a]C[6a]2)(CHHN)2(NOO)	C(CC[6a]CN)(NCC)(H)2	N(CC[6a]CC)(O)2	106.0805	3.676	2	106.0805	13.515	2	106.0805	13.515	2	106.0805	13.515	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C(CC[6a]CN)(CCH)(H)2	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C(CC[6a]CN)(CCH)(H)2	N(CC[6a]CC)(SCO)(H)	104.7390	0.000	1	104.7390	0.000	1	104.7390	0.000	1	104.7390	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C(CC[6a]CN)(NCH)(H)2	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C(CC[6a]CN)(NCH)(H)2	N(CC[6a]CC)(SC[6a]OO)(H)	105.6480	0.000	1	105.6480	0.000	1	103.3685	10.392	2	103.3685	10.392	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C(CC[6a]CN)(NOO)(H)2	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C(CC[6a]CN)(NOO)(H)2	N(CC[6a]CC)(SC[6a]OO)(H)	101.0890	0.000	1	101.0890	0.000	1	103.3685	10.392	2	103.3685	10.392	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:3:2:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-3:O-2:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C(CC[6a]CN)(CCH)(OC)(H)	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C(CC[6a]CN)(CCH)(OC)(H)	N(CC[6a]CC)(SCO)(H)	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)2(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)2(H)2	N(C[6a]C[6a]2)(CC3)(H)	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:3:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CC[6a]CN)(CH3)(H)2	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CC[6a]CN)(CH3)(H)2	N(CC[6a]CC)(CC[6a]O)(H)	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	3:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CC[6]N)(CCCN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CC[6]N)(CCCN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	2:2:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:Se-2:C-4:	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeCl)2(CC3)	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeCl)2(CC3)	108.4783	1.399	3	108.4783	1.958	3	108.4783	1.958	3	108.4783	1.958	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	2:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:C-4:Se-2:	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeCl)(CC3)(SeN)	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeCl)(CC3)(SeN)	109.0022	1.859	6	109.0022	3.457	6	109.0022	3.457	6	109.0022	3.457	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-3:C[6a]-3:C-4:	C(NC[6a]B)(CH3)3	C(CCCN)(H)3	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C(NC[6a]B)(CH3)3	C(CCCN)(H)3	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	111.1943	1.220	3	111.1943	1.489	3	111.1943	1.489	3	109.8509	3.208	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:B[5]-3:C-4:	C(NB[5]2)(CCCH)2(CH3)	C(CCCN)(H)3	N(B[5]O[5]2)2(CC3)	C(NB[5]2)(CCCH)2(CH3)	C(CCCN)(H)3	N(B[5]O[5]2)2(CC3)	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	109.8509	3.208	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:P-3:C-4:	C(NP[4]P)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(PC[6a]Cl)(CC3)	C(NP[4]P)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(PC[6a]Cl)(CC3)	110.3520	1.371	6	110.3520	1.880	6	110.3520	1.880	6	109.8509	3.208	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-3:Se-3:C-4:	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeClPd)2(CC3)	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeClPd)2(CC3)	107.7660	1.666	3	107.7660	2.774	3	107.7660	2.774	3	109.8509	3.208	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:Cl-1:	C(NClC)(CH3)3	C(CCCN)(H)3	N(CC[6a]O)(CC3)(Cl)	C(NClC)(CH3)3	C(CCCN)(H)3	N(CC[6a]O)(CC3)(Cl)	108.8253	1.266	3	108.8253	1.602	3	108.8253	1.602	3	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:H-1:	C(NC[4]H)(CH3)3	C(CCCN)(H)3	N(C[4]C[4]2)(CC3)(H)	C(NC[4]H)(CH3)3	C(CCCN)(H)3	N(C[4]C[4]2)(CC3)(H)	107.8882	1.922	6	107.8882	3.695	6	107.8882	3.695	6	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]N[5,6a]N[5])(CC3)(H)	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]N[5,6a]N[5])(CC3)(H)	106.0490	1.751	2	106.0490	3.065	2	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]N[5])(CC3)(H)	108.5498	2.127	9	108.5498	4.526	9	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5]2)(CC3)(H)	108.6974	2.618	24	108.6974	6.856	24	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)(H)	108.6428	1.833	6	108.6428	3.361	6	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5a]C[5,6])(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5a]C[5,6])(CC3)(H)	108.8920	3.577	3	108.8920	12.792	3	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5a]C[5])(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5a]C[5])(CC3)(H)	108.7127	3.565	3	108.7127	12.706	3	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]2)(CC3)(H)	109.1672	1.635	6	109.1672	2.672	6	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]O[5])(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]O[5])(CC3)(H)	108.8955	2.544	6	108.8955	6.472	6	108.6581	5.626	59	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:O-1:	C(NC[5]O)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]2)(CC3)(O)	C(NC[5]O)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]2)(CC3)(O)	108.0283	0.945	6	108.0283	0.894	6	108.0283	0.894	6	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)(H)	107.9535	3.712	2	107.9535	13.776	2	109.0832	7.253	70	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	109.6250	1.437	2	109.6250	2.065	2	109.0832	7.253	70	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	108.7367	2.772	3	108.7367	7.687	3	109.0832	7.253	70	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]2)(CC3)(H)	109.3059	2.920	18	109.3059	8.528	18	109.0832	7.253	70	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)(H)	109.1575	2.843	30	109.1575	8.083	30	109.0832	7.253	70	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]O[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]O[5a])(CC3)(H)	108.5109	2.626	9	108.5109	6.893	9	109.0832	7.253	70	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	109.2713	2.323	6	109.2713	5.396	6	109.0832	7.253	70	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[5a,6]N[6])(CC3)(H)	108.6577	3.674	3	108.6577	13.499	3	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6,6a]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6,6a]N[6])(CC3)(H)	108.7628	2.362	9	108.7628	5.580	9	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]2)(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]2)(CC3)(H)	108.8693	3.353	3	108.8693	11.243	3	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(H)	109.5603	3.458	3	109.5603	11.958	3	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]O[6])(CC3)(H)	108.8688	3.168	15	108.8688	10.037	15	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[5,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[5,6]N[6])(CC3)(H)	108.5368	2.494	6	108.5368	6.221	6	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[5a,6]N[6])(CC3)(H)	108.9480	2.085	3	108.9480	4.347	3	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[6]2)(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[6]2)(CC3)(H)	108.3817	2.516	6	108.3817	6.330	6	108.7815	7.094	48	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-1:	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]2)(CC3)(O)	108.4116	1.711	21	108.4116	2.928	21	108.4116	2.928	21	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	108.5636	2.100	18	108.5636	4.410	18	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]N[6a]2)(CC3)(H)	107.2787	2.153	12	107.2787	4.635	12	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	109.5417	4.124	3	109.5417	17.009	3	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	109.0882	3.154	6	109.0882	9.947	6	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	108.9876	3.444	19	108.9876	11.863	19	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]N[6a])(CC3)(H)	108.6897	1.709	3	108.6897	2.921	3	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	108.5067	2.420	3	108.5067	5.854	3	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]N[6a]2)(CC3)(H)	108.8588	2.567	21	108.8588	6.589	21	108.6239	7.166	85	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(O)	108.7602	1.601	80	108.7602	2.562	80	108.7060	2.532	95	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]N[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]N[6a])(CC3)(O)	108.4169	1.562	15	108.4169	2.440	15	108.7060	2.532	95	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(CC3)(H)	109.1564	1.387	33	109.1564	1.924	33	109.1564	1.924	33	108.7536	5.110	426	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:	C(NC[5a]O)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]2)(CC3)(OH)	C(NC[5a]O)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]2)(CC3)(OH)	109.0017	2.748	6	109.0017	7.549	6	109.0017	7.549	6	108.8041	4.220	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(OAl)	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(OAl)	109.3428	0.553	6	109.3428	0.306	6	108.6559	1.148	32	108.8041	4.220	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(ONi)	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(ONi)	108.4973	1.106	26	108.4973	1.223	26	108.6559	1.148	32	108.8041	4.220	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OCo)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OCo)	108.0960	0.572	3	108.0960	0.328	3	108.9226	7.173	30	108.8041	4.220	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OH)	109.2378	3.155	21	109.2378	9.954	21	108.9226	7.173	30	108.8041	4.220	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OMn)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OMn)	108.4210	0.444	3	108.4210	0.197	3	108.9226	7.173	30	108.8041	4.220	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(ONi)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(ONi)	108.0443	0.584	3	108.0443	0.341	3	108.9226	7.173	30	108.8041	4.220	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-3:	C(NB[5]C)(CH3)3	C(CCCN)(H)3	N(B[5]O[5]2)(CC3)(CBC)	C(NB[5]C)(CH3)3	C(CCCN)(H)3	N(B[5]O[5]2)(CC3)(CBC)	110.0800	1.105	3	110.0800	1.222	3	109.7288	0.686	9	109.7864	0.710	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-3:	C(NB[5]C)(CH3)3	C(CCCN)(H)3	N(B[5]O[5]2)(CC3)(CHN)	C(NB[5]C)(CH3)3	C(CCCN)(H)3	N(B[5]O[5]2)(CC3)(CHN)	110.0170	0.544	3	110.0170	0.296	3	109.7288	0.686	9	109.7864	0.710	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:C-3:	C(NB[5]C)(CH3)3	C(CCCN)(H)3	N(B[5]O[5]2)(CC3)(COP)	C(NB[5]C)(CH3)3	C(CCCN)(H)3	N(B[5]O[5]2)(CC3)(COP)	109.0893	0.552	3	109.0893	0.305	3	109.7288	0.686	9	109.7864	0.710	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-3:	C(NC[5]C)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]2)(CC3)(COO)	C(NC[5]C)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]2)(CC3)(COO)	110.1970	0.810	9	110.1970	0.656	9	110.1970	0.656	9	109.7864	0.710	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]O[5a])(CC3)(CCO)	C(NC[5a]C)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]O[5a])(CC3)(CCO)	109.2753	0.343	3	109.2753	0.118	3	109.2753	0.118	3	109.7864	0.710	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(COO)	C(NC[6a]C)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(COO)	109.5125	0.969	6	109.5125	0.939	6	109.5125	0.939	6	109.7864	0.710	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Si-4:C-4:	C(NC[5]Si)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]P[5])(SiSi3)(CC3)	C(NC[5]Si)(CH3)3	C(CCCN)(H)3	N(C[5]N[5]P[5])(SiSi3)(CC3)	110.3373	0.809	3	110.3373	0.655	3	110.3373	0.655	3	110.7053	0.463	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5,5]-3:C-4:C-4:	C(NSi[5,5]C)(CH3)3	C(CCCN)(H)3	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	C(NSi[5,5]C)(CH3)3	C(CCCN)(H)3	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	110.9907	0.646	3	110.9907	0.418	3	110.9907	0.418	3	110.7053	0.463	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-3:C-4:C-4:	C(NSi[5]C)(CH3)3	C(CCCN)(H)3	N(Si[5]N[5]2)(CCHH)(CC3)	C(NSi[5]C)(CH3)3	C(CCCN)(H)3	N(Si[5]N[5]2)(CCHH)(CC3)	110.7880	0.665	3	110.7880	0.443	3	110.7880	0.443	3	110.7053	0.463	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:5:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:Nb-5:C-4:	C(NC[6a]Nb)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(NbN3O)(CC3)	C(NC[6a]Nb)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(NbN3O)(CC3)	110.0904	1.476	9	110.0904	2.179	9	110.0904	2.179	9	110.0904	2.179	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:2:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:Se-2:Se-2:	C(NSe2)(CH3)3	C(CCCN)(H)3	N(CC3)(SeN)2	C(NSe2)(CH3)3	C(CCCN)(H)3	N(CC3)(SeN)2	109.1773	1.196	3	109.1773	1.429	3	109.1773	1.429	3	109.1773	1.429	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-4:C-3:C-4:	C(NGeC)(CH3)3	C(CCCN)(H)3	N(GeC[6a]FN)(CC[6a]N)(CC3)	C(NGeC)(CH3)3	C(CCCN)(H)3	N(GeC[6a]FN)(CC[6a]N)(CC3)	109.9235	2.739	6	109.9235	7.504	6	109.9235	7.504	6	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:B-3:C-4:	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(BNi2)(CC3)	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(BNi2)(CC3)	109.8357	0.638	6	109.8357	0.407	6	109.8357	0.407	6	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-3:C-4:	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC3)(CSnC)(CC3)	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC3)(CSnC)(CC3)	110.2362	0.723	6	110.2362	0.523	6	110.2504	2.790	24	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-3:C-4:	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[5]Cl2)(CC[6a]N)(CC3)	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[5]Cl2)(CC[6a]N)(CC3)	110.0493	1.794	3	110.0493	3.219	3	110.2504	2.790	24	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-3:C-4:	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[6a]FN)(CC[6a]N)(CC3)	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[6a]FN)(CC[6a]N)(CC3)	110.1893	1.767	6	110.1893	3.124	6	110.2504	2.790	24	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-3:C-4:	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[6a]SiF)(CC[6a]N)(CC3)	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[6a]SiF)(CC[6a]N)(CC3)	110.1307	2.659	3	110.1307	7.070	3	110.2504	2.790	24	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-3:C-4:	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[6a]SiN)(CC[6a]N)(CC3)	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[6a]SiN)(CC[6a]N)(CC3)	110.4862	2.229	6	110.4862	4.969	6	110.2504	2.790	24	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:Ga-3:C-4:	C(NGaSi)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(GaCl2)(CC3)	C(NGaSi)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(GaCl2)(CC3)	110.0897	0.175	6	110.0897	0.031	6	110.0897	0.031	6	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:In-3:C-4:	C(NInSi)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(InBr2)(CC3)	C(NInSi)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(InBr2)(CC3)	109.9133	1.043	6	109.9133	1.087	6	109.9133	1.087	6	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,5]-4:C-3:C-4:	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	109.9277	3.872	3	109.9277	14.992	3	110.2250	8.061	6	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,5]-4:C-3:C-4:	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	110.5223	2.213	3	110.5223	4.895	3	110.2250	8.061	6	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-3:C-4:	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	110.1823	3.062	3	110.1823	9.376	3	110.2184	5.599	12	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-3:C-4:	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	110.3423	1.958	3	110.3423	3.833	3	110.2184	5.599	12	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-3:C-4:	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	110.2307	2.824	3	110.2307	7.975	3	110.2184	5.599	12	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-3:C-4:	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	110.1183	3.094	3	110.1183	9.570	3	110.2184	5.599	12	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:P-3:C-4:	C(NSi[4]P)(CH3)3	C(CCCN)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	C(NSi[4]P)(CH3)3	C(CCCN)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	110.4320	2.054	3	110.4320	4.220	3	110.4320	4.220	3	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-3:C-4:	C(NSi[6]C)(CH3)3	C(CCCN)(H)3	N(Si[6]Si[3,6]C[6a]O[6])(CC[6a]N)(CC3)	C(NSi[6]C)(CH3)3	C(CCCN)(H)3	N(Si[6]Si[3,6]C[6a]O[6])(CC[6a]N)(CC3)	110.6360	2.401	3	110.6360	5.765	3	110.6360	5.765	3	110.1633	3.292	72	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb-4:C-4:H-1:	C(NNbH)(CH3)3	C(CCCN)(H)3	N(NbNNS)(CC3)(H)	C(NNbH)(CH3)3	C(CCCN)(H)3	N(NbNNS)(CC3)(H)	108.9330	0.434	3	108.9330	0.188	3	108.9330	0.188	3	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-4:C-4:H-1:	C(NNb[6]H)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2N)(CC3)(H)	C(NNb[6]H)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2N)(CC3)(H)	108.9810	0.973	3	108.9810	0.948	3	108.9810	0.948	3	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2C)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2C)(CC3)(H)	109.1361	3.272	12	109.1361	10.708	12	109.1469	7.113	90	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Cu)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Cu)(CC3)(H)	109.1302	2.597	6	109.1302	6.742	6	109.1469	7.113	90	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2N)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2N)(CC3)(H)	108.3093	1.813	3	108.3093	3.287	3	109.1469	7.113	90	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2S)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2S)(CC3)(H)	109.1490	2.562	21	109.1490	6.562	21	109.1469	7.113	90	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Se)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Se)(CC3)(H)	109.2031	2.695	48	109.2031	7.265	48	109.1469	7.113	90	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2Cl)(CC3)(H)	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2Cl)(CC3)(H)	108.5560	2.199	3	108.5560	4.834	3	109.2410	4.370	15	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2N)(CC3)(H)	109.4386	2.012	9	109.4386	4.050	9	109.2410	4.370	15	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2O)(CC3)(H)	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2O)(CC3)(H)	109.3333	2.943	3	109.3333	8.662	3	109.2410	4.370	15	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:	C(NSiH)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(CC3)(H)	C(NSiH)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(CC3)(H)	110.6390	6.131	3	110.6390	37.588	3	110.6390	37.588	3	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:H-1:	C(NSi[6]H)(CH3)3	C(CCCN)(H)3	N(Si[6]N[6]2H)(CC3)(H)	C(NSi[6]H)(CH3)3	C(CCCN)(H)3	N(Si[6]N[6]2H)(CC3)(H)	109.5493	1.213	3	109.5493	1.472	3	109.4597	0.983	9	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:H-1:	C(NSi[6]H)(CH3)3	C(CCCN)(H)3	N(Si[6]O[6]2N)(CC3)(H)	C(NSi[6]H)(CH3)3	C(CCCN)(H)3	N(Si[6]O[6]2N)(CC3)(H)	109.4148	0.989	6	109.4148	0.977	6	109.4597	0.983	9	109.2084	6.450	123	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:B-2:	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(CC3)(BMo)	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(CC3)(BMo)	109.3250	1.407	3	109.3250	1.979	3	109.3569	1.463	9	109.3569	1.463	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:B-2:	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(CC3)(BV)	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(CC3)(BV)	109.4647	1.463	3	109.4647	2.140	3	109.3569	1.463	9	109.3569	1.463	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:B-2:	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(CC3)(BW)	C(NSiB)(CH3)3	C(CCCN)(H)3	N(SiC3)(CC3)(BW)	109.2810	1.307	3	109.2810	1.707	3	109.3569	1.463	9	109.3569	1.463	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(CTiCN)(CC3)	C(NSiC)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(CTiCN)(CC3)	110.4103	1.602	3	110.4103	2.565	3	110.4103	2.565	3	110.7278	2.776	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:Si-4:C-4:	C(NSi[5]Si)(CH3)3	C(CCCN)(H)3	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	C(NSi[5]Si)(CH3)3	C(CCCN)(H)3	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	111.0453	2.018	3	111.0453	4.072	3	111.0453	4.072	3	110.7278	2.776	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	5:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:B[5]-3:C-4:	C(NNb[6]B[5])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2NO)(B[5]O[5]2)(CC3)	C(NNb[6]B[5])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2NO)(B[5]O[5]2)(CC3)	110.2162	2.430	6	110.2162	5.903	6	110.2162	5.903	6	110.2162	5.903	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:1:1:1:	5:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:Si-4:C-4:	C(NNb[6]Si)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2HN)(SiC[6a]HH)(CC3)	C(NNb[6]Si)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2HN)(SiC[6a]HH)(CC3)	109.5460	1.899	3	109.5460	3.605	3	109.5460	3.605	3	109.5460	3.605	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:3:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	109.3950	0.603	4	109.3950	0.363	4	109.3950	0.363	4	109.3950	0.363	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]N[5,6a]N[5])(CC3)(H)	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]N[5,6a]N[5])(CC3)(H)	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	111.1658	10.745	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5a]C[5a]N[5a])(CC3)(H)	111.7400	0.000	1	111.7400	0.000	1	107.1810	41.569	2	111.1658	10.745	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	102.6220	0.000	1	102.6220	0.000	1	107.1810	41.569	2	111.1658	10.745	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[6a]N[6a]2)(CC3)(H)	112.3808	2.781	6	112.3808	7.737	6	111.7295	5.221	10	111.1658	10.745	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	110.8493	0.957	3	110.8493	0.915	3	111.7295	5.221	10	111.1658	10.745	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)2(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)2(H)2	N(C[6a]C[6a]2)(CC3)(H)	110.4620	0.000	1	110.4620	0.000	1	111.7295	5.221	10	111.1658	10.745	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	3:4:4:4:	4:4:3:1:	3:3:4:	N-3:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	B[5]-3:B[5]-3:C-4:	C(NB[5]2)(CCCH)2(CH3)	C(CC[6a]HH)(CCCN)(COO)(H)	N(B[5]O[5]2)2(CC3)	C(NB[5]2)(CCCH)2(CH3)	C(CC[6a]HH)(CCCN)(COO)(H)	N(B[5]O[5]2)2(CC3)	106.7915	1.464	2	106.7915	2.145	2	106.7915	2.145	2	106.7915	2.145	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-2:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	111.8437	1.722	43	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	111.4428	1.225	15	111.4428	1.500	15	111.7722	1.696	41	111.8437	1.722	43	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	111.9623	1.330	26	111.9623	1.770	26	111.7722	1.696	41	111.8437	1.722	43	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHS)(NCH)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	113.3090	0.000	1	113.3090	0.000	1	113.3090	0.000	1	111.8437	1.722	43	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	N-2:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(NC[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(OC[6])(CHHN)(H)2	N(CCHH)(COO)(H)	C(CHHO)(NCH)(H)2	C(OC[6])(CHHN)(H)2	N(CCHH)(COO)(H)	114.3330	0.000	1	114.3330	0.000	1	112.6258	2.945	31	112.3864	2.650	38	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CCO)(H)	112.4727	1.801	22	112.4727	3.242	22	112.6258	2.945	31	112.3864	2.650	38	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CNN)(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CNN)(H)	114.4600	0.000	1	114.4600	0.000	1	112.6258	2.945	31	112.3864	2.650	38	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CNO)(H)	112.8400	0.964	3	112.8400	0.930	3	112.6258	2.945	31	112.3864	2.650	38	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(COO)(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(COO)(H)	113.2283	1.322	3	113.2283	1.746	3	112.6258	2.945	31	112.3864	2.650	38	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(OP[5])(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CHHO)(NCH)(H)2	C(OP[5])(CHHN)(H)2	N(CCHH)(CNS)(H)	110.0030	0.000	1	110.0030	0.000	1	112.6258	2.945	31	112.3864	2.650	38	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(SC[5])(CHHN)(H)2	N(CCHH)(CHN)(H)	C(CHHS)(NCH)(H)2	C(SC[5])(CHHN)(H)2	N(CCHH)(CHN)(H)	111.3260	0.107	7	111.3260	0.011	7	111.3260	0.011	7	112.3864	2.650	38	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:P-4:H-1:	C(CHHO)(NHP)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(POOS)(H)	C(CHHO)(NHP)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(POOS)(H)	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	N(CCHH)(CH3)(CNS)	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	N(CCHH)(CH3)(CNS)	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	112.4050	0.837	2	112.4050	0.701	2	112.4050	0.701	2	112.4050	0.701	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:S-4:C-4:	C(CCHO)(NCS)(H)2	C(OC[6a])(CHHN)(CCH)(H)	N(CC[6a]2H)(SC[6a]OO)(CCHH)	C(CCHO)(NCS)(H)2	C(OC[6a])(CHHN)(CCH)(H)	N(CC[6a]2H)(SC[6a]OO)(CCHH)	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(H)2	C(OC[6a])(CCCH)(CHHN)(H)	N(CCHH)(CH3)(COO)	C(CCHO)(NCC)(H)2	C(OC[6a])(CCCH)(CHHN)(H)	N(CCHH)(CH3)(COO)	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	2:4:4:3:	4:3:1:	C-4:N-3:H-1:H-1:	S-2:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CCCS)(NCH)(H)2	C(SC[6a])(CHHN)(CH3)(COO)	N(CCHH)(CCO)(H)	C(CCCS)(NCH)(H)2	C(SC[6a])(CHHN)(CH3)(COO)	N(CCHH)(CCO)(H)	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:2:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	N(CC[6a]O)(CCHH)(H)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	N(CC[6a]O)(CCHH)(H)	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:2:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	N(CCHH)(O)2	110.9680	0.000	1	110.9680	0.000	1	110.2350	0.407	3	110.2350	0.407	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:2:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	N(CCHH)(O)2	109.8685	0.091	2	109.8685	0.008	2	110.2350	0.407	3	110.2350	0.407	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:2:4:3:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:C-3:	C-4:O-1:O-1:	C(CC[6a]CS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(COO)	N(CCHH)(O)2	C(CC[6a]CS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(COO)	N(CCHH)(O)2	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:3:4:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C-3:C-4:C-4:	C(CC[6a]2C)(NCC)(H)2	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	N(CC[6a]O)(CCHH)(CH3)	C(CC[6a]2C)(NCC)(H)2	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	N(CC[6a]O)(CCHH)(CH3)	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	3:3:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-3:C-4:	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	3:4:2:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-2:	C(CC[6a]2H)(NC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]2H)(NC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(CN)	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.1335	1.595	11	111.1335	2.542	11	111.0561	2.180	15	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.1807	1.319	3	111.1807	1.740	3	111.0561	2.180	15	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	109.8300	0.000	1	109.8300	0.000	1	111.0561	2.180	15	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	N(CCHH)(O)2	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	N(CCHH)(O)2	110.3250	3.377	2	110.3250	11.405	2	110.3250	11.405	2	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	N(CCHH)(O)2	109.9723	1.918	3	109.9723	3.680	3	109.9723	3.680	3	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	108.7660	0.000	1	108.7660	0.000	1	110.4735	1.509	4	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(O)2	111.0427	0.565	3	111.0427	0.320	3	110.4735	1.509	4	110.7715	2.411	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]2H)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(CNO)(H)	C(CC[6a]2H)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(CNO)(H)	110.2095	0.233	2	110.2095	0.054	2	110.2095	0.054	2	110.3808	0.268	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:O-1:	C(CC[6a]2H)(NCO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(CCH)(O)	C(CC[6a]2H)(NCO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(CCH)(O)	110.5520	0.666	2	110.5520	0.444	2	110.5520	0.444	2	110.3808	0.268	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:	C(CN[5]2H)(NCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	N(CCHH)(CCO)(H)	110.3810	0.853	2	110.3810	0.727	2	110.3810	0.727	2	110.3808	0.268	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	109.0370	0.000	1	109.0370	0.000	1	110.6095	4.946	2	110.6095	4.946	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	112.1820	0.000	1	112.1820	0.000	1	110.6095	4.946	2	110.6095	4.946	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:2:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-3:C-4:O-2:	C[6a]-3:C-4:H-1:	C(CC[6a]CO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	N(C[6a]C[6a]2)(CCHH)(H)	110.8070	0.000	1	110.8070	0.000	1	110.8070	0.000	1	110.8070	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:2:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-3:H-1:	C(CC[6a]2O)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	N(CCHH)(CCO)(H)	C(CC[6a]2O)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	N(CCHH)(CCO)(H)	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:3:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-3:C-4:H-1:	C(CC[5a]C[6a]C)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	N(CC[6a]O)(CCHH)(H)	C(CC[5a]C[6a]C)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	N(CC[6a]O)(CCHH)(H)	113.6005	1.310	2	113.6005	1.717	2	113.6005	1.717	2	113.6005	1.717	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:3:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-4:O-1:O-1:	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	N(CCHH)(O)2	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	N(CCHH)(O)2	111.3520	0.000	1	111.3520	0.000	1	110.3775	1.899	2	110.3775	1.899	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:3:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-4:O-1:O-1:	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	N(CCHH)(O)2	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	N(CCHH)(O)2	109.4030	0.000	1	109.4030	0.000	1	110.3775	1.899	2	110.3775	1.899	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:4:	3:3:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-3:C-3:C-4:	C(CC[5a]C[6a]C)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	N(CC[6a]O)2(CCHH)	C(CC[5a]C[6a]C)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	N(CC[6a]O)2(CCHH)	114.4750	0.000	1	114.4750	0.000	1	114.4750	0.000	1	114.4750	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:4:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:O-1:O-1:	C(CC[5a]2C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	N(CCHH)(O)2	C(CC[5a]2C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	N(CCHH)(O)2	113.2440	1.674	2	113.2440	2.804	2	113.2440	2.804	2	113.9120	1.361	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:3:4:4:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:O-1:O-1:	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	N(CCHH)(O)2	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	N(CCHH)(O)2	114.1347	1.052	6	114.1347	1.106	6	114.1347	1.106	6	113.9120	1.361	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	111.5970	0.442	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	B[5]-3:B[5]-3:C-4:	C(CC[6a]HH)(NB[5]2)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(B[5]O[5]2)2(CCHH)	C(CC[6a]HH)(NB[5]2)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(B[5]O[5]2)2(CCHH)	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	111.5970	0.442	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(CN[6]HH)(NC[6a]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(CN[6]HH)(NC[6a]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	111.5970	0.442	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[5a]C)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CC[5a]C)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	114.9600	0.000	1	114.9600	0.000	1	113.3100	5.542	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[5a]O)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CC[5a]O)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	112.0455	1.525	4	112.0455	2.327	4	113.3100	5.542	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CN[6]O)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CN[6]O)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	116.7180	0.000	1	116.7180	0.000	1	113.3100	5.542	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6]C)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6]C)(CCHH)(H)	110.4070	0.000	1	110.4070	0.000	1	111.1062	0.401	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	111.2850	1.106	2	111.2850	1.223	2	111.1062	0.401	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	111.3330	0.000	2	111.3330	0.000	2	111.1062	0.401	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]C)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]C)(CCHH)(H)	110.6290	0.000	1	110.6290	0.000	1	111.1062	0.401	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	110.4050	0.000	1	110.4050	0.000	1	111.1062	0.401	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]N[5a]2)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]N[5a]2)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	111.6395	0.204	2	111.6395	0.042	2	111.1062	0.401	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(CC[5a]HH)(NC[6]H)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(CC[5a]HH)(NC[6]H)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	110.5037	0.643	3	110.5037	0.413	3	110.5037	0.413	3	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[5a]HH)(NC[6a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(CC[5a]HH)(NC[6a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	113.3840	0.000	1	113.3840	0.000	1	112.4150	1.267	10	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.0130	0.000	1	112.0130	0.000	1	112.4150	1.267	10	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	110.4290	0.000	1	110.4290	0.000	1	112.4150	1.267	10	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.6177	1.006	7	112.6177	1.012	7	112.4150	1.267	10	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[4]-3:C-4:H-1:	C(CC[6]HH)(NC[4]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(C[4]C[4]2)(CCHH)(H)	C(CC[6]HH)(NC[4]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(C[4]C[4]2)(CCHH)(H)	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(CC[6]HH)(NC[6]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(CC[6]HH)(NC[6]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	114.6295	1.145	2	114.6295	1.311	2	114.6295	1.311	2	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[4]O)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[4]O)(CCHH)(H)	111.7545	0.958	2	111.7545	0.918	2	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5]S)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5]S)(CCHH)(H)	112.0813	0.953	3	112.0813	0.908	3	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5a]H)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5a]H)(CCHH)(H)	109.3900	0.000	1	109.3900	0.000	1	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	111.1410	0.388	3	111.1410	0.150	3	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	112.8230	0.000	1	112.8230	0.000	1	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)(H)	110.9180	0.000	1	110.9180	0.000	1	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.3122	1.155	11	112.3122	1.334	11	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CN[5]O)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CN[5]O)(CCHH)(H)	113.9850	0.000	1	113.9850	0.000	1	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	111.7390	0.509	2	111.7390	0.259	2	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]C[5])(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]C[5])(CCHH)(H)	110.2770	0.885	2	110.2770	0.784	2	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	110.9900	0.000	1	110.9900	0.000	1	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.8532	1.012	5	112.8532	1.024	5	111.9701	1.508	33	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[4a]-3:C-4:H-1:	C(CC[6a]HH)(NC[4a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	C(CC[6a]HH)(NC[4a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[4a]C[4a]2)(CCHH)(H)	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	110.1810	0.687	2	110.1810	0.472	2	110.8188	1.350	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	111.1377	1.298	4	111.1377	1.686	4	110.8188	1.350	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	110.8990	0.000	1	110.8990	0.000	1	112.3957	2.495	17	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	111.8171	1.453	9	111.8171	2.112	9	112.3957	2.495	17	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.8145	1.690	4	112.8145	2.857	4	112.3957	2.495	17	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	113.8470	0.000	1	113.8470	0.000	1	112.3957	2.495	17	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	114.1840	0.000	1	114.1840	0.000	1	112.3957	2.495	17	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	114.1850	0.000	1	114.1850	0.000	1	112.3957	2.495	17	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	111.2233	1.172	4	111.2233	1.373	4	110.6981	0.910	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	110.9530	0.000	1	110.9530	0.000	1	110.6981	0.910	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	110.1093	0.449	4	110.1093	0.202	4	110.6981	0.910	9	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,5a]C[5])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,5a]C[5])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	114.5190	0.000	1	114.5190	0.000	1	112.9132	2.034	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	111.7580	0.000	1	111.7580	0.000	1	112.9132	2.034	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	112.6555	1.627	2	112.6555	2.647	2	112.9132	2.034	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	114.2640	0.000	1	114.2640	0.000	1	112.9132	2.034	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	111.6270	0.000	1	111.6270	0.000	1	112.9132	2.034	6	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(CN[5]HH)(NC[5]H)(H)2	C(N[5]C[5,5]C[5])(CHHN)(H)2	N(C[5]C[5,6a]C[5])(CCHH)(H)	C(CN[5]HH)(NC[5]H)(H)2	C(N[5]C[5,5]C[5])(CHHN)(H)2	N(C[5]C[5,6a]C[5])(CCHH)(H)	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	107.8050	0.000	1	107.8050	0.000	1	110.3065	12.515	2	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]P[5])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]P[5])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.8080	0.000	1	112.8080	0.000	1	110.3065	12.515	2	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[5a]HH)(NC[6a]H)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5a]HH)(NC[6a]H)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	112.1020	0.000	1	112.1020	0.000	1	111.4373	2.083	11	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	110.8568	0.877	4	110.8568	0.768	4	111.4373	2.083	11	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	112.6655	3.218	2	112.6655	10.356	2	111.4373	2.083	11	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	111.2375	1.032	4	111.2375	1.066	4	111.4373	2.083	11	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(CN[6]HH)(NC[5]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[5]N[5]2)(CCHH)(H)	C(CN[6]HH)(NC[5]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[5]N[5]2)(CCHH)(H)	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:	C(CN[6]HH)(NC[6]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	C(CN[6]HH)(NC[6]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)(H)	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)(H)	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	P-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHP)(NCH)(H)2	C(PC[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHP)(NCH)(H)2	C(PC[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	111.7640	2.746	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:2:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:	C(CN[6]HH)(NC[6a]N)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(NO)	C(CN[6]HH)(NC[6a]N)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(NO)	111.4265	1.167	2	111.4265	1.363	2	111.4265	1.363	2	111.4265	1.363	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:C-3:	C(CC[6a]HH)(NC[5]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5]C[5]2)(CCHH)(COO)	C(CC[6a]HH)(NC[5]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5]C[5]2)(CCHH)(COO)	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	113.7950	4.061	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CN[5]HH)(NC[6a]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(CN[5]HH)(NC[6a]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	113.7950	4.061	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	113.6200	0.000	1	113.6200	0.000	1	113.2050	0.344	2	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	112.7900	0.000	1	112.7900	0.000	1	113.2050	0.344	2	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(CH3)	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:C-4:	C(CC[6a]HH)(NC[5]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5]N[5]P[5])(CCHH)(CH3)	C(CC[6a]HH)(NC[5]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5]N[5]P[5])(CCHH)(CH3)	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:	C(CC[6a]HH)(NC[5a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5a]N[5a]S[5a])(CC[5]HH)(CCHH)	C(CC[6a]HH)(NC[5a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5a]N[5a]S[5a])(CC[5]HH)(CCHH)	113.4970	0.741	2	113.4970	0.549	2	113.4970	0.549	2	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(CC[6a]HH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(CC[6a]HH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	115.2990	0.000	1	115.2990	0.000	1	115.2990	0.000	1	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)2	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)2	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	113.4813	0.769	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(NOO)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(O)2	C(CC[5a]HH)(NOO)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(O)2	112.4830	0.297	2	112.4830	0.088	2	112.4830	0.088	2	111.0434	2.034	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:O-1:O-1:	C(CC[6a]HO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(H)(O)	N(CCHH)(O)2	C(CC[6a]HO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(H)(O)	N(CCHH)(O)2	109.6750	0.372	2	109.6750	0.138	2	109.6750	0.138	2	111.0434	2.034	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CN[6]HH)(NHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)2	C(CN[6]HH)(NHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)2	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	111.0434	2.034	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CC[5]H)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CC[5]H)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CCHH)(CCO)(H)	110.5535	0.931	2	110.5535	0.867	2	111.4340	2.759	3	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CCHH)(CNO)(H)	113.1950	0.000	1	113.1950	0.000	1	111.4340	2.759	3	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	111.5970	0.000	1	111.5970	0.000	1	112.2823	3.497	20	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CCH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CCH)(H)	112.8785	0.467	2	112.8785	0.218	2	112.2823	3.497	20	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	112.9570	0.953	2	112.9570	0.909	2	112.2823	3.497	20	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(COO)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(COO)(H)	111.2269	2.185	9	111.2269	4.773	9	112.2823	3.497	20	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CSS)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CSS)(H)	112.2060	0.000	1	112.2060	0.000	1	112.2823	3.497	20	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	115.1870	0.000	1	115.1870	0.000	1	112.2823	3.497	20	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CNO)(H)	113.4860	0.507	4	113.4860	0.257	4	112.2823	3.497	20	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	N(CCHH)(CCO)(H)	111.9892	1.542	19	111.9892	2.379	19	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCC)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCC)(H)	113.3050	0.000	1	113.3050	0.000	1	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCH)(H)	113.2207	0.450	3	113.2207	0.202	3	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCN)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCN)(H)	113.5980	0.000	1	113.5980	0.000	1	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.6514	1.308	21	112.6514	1.711	21	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNO)(H)	114.5105	0.773	2	114.5105	0.597	2	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNS)(H)	112.2067	2.035	3	112.2067	4.143	3	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCC)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCC)(H)	111.1477	1.630	3	111.1477	2.658	3	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCO)(H)	111.6810	0.634	2	111.6810	0.401	2	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCS)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCS)(H)	112.1230	0.000	1	112.1230	0.000	1	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CNS)(H)	112.0415	2.152	2	112.0415	4.630	2	112.3912	2.115	58	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NC[4a]C)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(NC[4a]C)(CHHN)(H)2	N(CCHH)(CCO)(H)	109.9760	0.000	1	109.9760	0.000	1	110.9245	0.596	6	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(CCO)(H)	110.9640	0.000	1	110.9640	0.000	1	110.9245	0.596	6	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(COO)(H)	111.1517	0.790	4	111.1517	0.624	4	110.9245	0.596	6	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)(CCO)(H)	111.2125	0.688	2	111.2125	0.473	2	112.8373	0.677	15	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)(CNS)(H)	112.8100	0.000	1	112.8100	0.000	1	112.8373	0.677	15	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.5610	0.099	2	112.5610	0.010	2	112.8373	0.677	15	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(COO)(H)	113.2202	0.482	10	113.2202	0.233	10	112.8373	0.677	15	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	111.1550	0.000	1	111.1550	0.000	1	111.4445	1.639	4	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(COO)(H)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(COO)(H)	109.8840	0.000	1	109.8840	0.000	1	111.4445	1.639	4	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.9560	0.000	1	112.9560	0.000	1	111.4445	1.639	4	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CCO)(H)	111.7830	0.000	1	111.7830	0.000	1	111.4445	1.639	4	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6,6a]C[6])(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6,6a]C[6])(CHHN)(H)2	N(CCHH)(CNO)(H)	114.1830	0.000	1	114.1830	0.000	1	111.8250	10.657	3	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	113.1930	0.000	1	113.1930	0.000	1	111.8250	10.657	3	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CNS)(H)	108.0990	0.000	1	108.0990	0.000	1	111.8250	10.657	3	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCO)(H)	111.6220	0.000	1	111.6220	0.000	1	112.5551	0.427	7	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNO)(H)	112.7107	0.556	6	112.7107	0.309	6	112.5551	0.427	7	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHP)(NCH)(H)2	C(PC[6a]2)(CHHN)(H)2	N(CCHH)(CCC)(H)	C(CHHP)(NCH)(H)2	C(PC[6a]2)(CHHN)(H)2	N(CCHH)(CCC)(H)	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	112.2875	2.193	118	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	S-4:C-3:C-4:	C(CCHH)(NCS)(H)2	C(CC[4]H)(CHHN)(H)2	N(SC[6a]OO)(CC[4]H)(CCHH)	C(CCHH)(NCS)(H)2	C(CC[4]H)(CHHN)(H)2	N(SC[6a]OO)(CC[4]H)(CCHH)	118.0630	0.677	2	118.0630	0.459	2	118.0630	0.459	2	113.1204	6.922	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5]HH)(CN[5a]S)(CCHH)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5]HH)(CN[5a]S)(CCHH)	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	113.1204	6.922	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[3]-4:C-3:C-4:	C(CC[6a]HH)(NC[3]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	C(CC[6a]HH)(NC[3]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	111.6820	0.000	2	111.6820	0.000	2	111.6820	0.000	2	113.1204	6.922	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CHHN)(NCC)(H)2	C(NC[3]C)(CHHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCHH)	C(CHHN)(NCC)(H)2	C(NC[3]C)(CHHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCHH)	112.0630	0.483	3	112.0630	0.233	3	112.0170	0.132	5	113.1204	6.922	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCHH)	111.9480	0.218	2	111.9480	0.047	2	112.0170	0.132	5	113.1204	6.922	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	S-4:C-4:H-1:	C(CC[6a]ClH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]ClH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	N(SC[6a]OO)(CCHH)(H)	110.9740	0.000	1	110.9740	0.000	1	110.9740	0.000	1	110.8429	0.282	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	111.7240	0.000	1	111.7240	0.000	1	111.0693	0.538	3	110.8429	0.282	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	110.7420	0.658	2	110.7420	0.432	2	111.0693	0.538	3	110.8429	0.282	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.8429	0.282	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CN[6]HH)(NHS)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CN[6]HH)(NHS)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	110.8429	0.282	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CN[6a]HH)(NHS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(SCOO)(H)	C(CN[6a]HH)(NHS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(SCOO)(H)	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	110.8429	0.282	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CN[6]O)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CN[6]O)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	114.3890	0.363	2	114.3890	0.132	2	114.3890	0.132	2	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5]HH)(NCC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	N(CCHH)2(CCO)	C(CC[5]HH)(NCC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	N(CCHH)2(CCO)	112.0960	0.000	1	112.0960	0.000	1	112.0960	0.000	1	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	N(CC[5]HH)(CCHH)(CCO)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	N(CC[5]HH)(CCHH)(CCO)	113.3600	0.000	1	113.3600	0.000	1	111.4847	2.162	4	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)2(CCO)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)2(CCO)	110.3125	0.028	2	110.3125	0.001	2	111.4847	2.162	4	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	111.9540	0.000	1	111.9540	0.000	1	111.4847	2.162	4	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	112.3115	0.907	2	112.3115	0.823	2	112.3115	0.823	2	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	N(CCHH)(CC3)(COO)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	N(CCHH)(CC3)(COO)	113.3890	0.000	1	113.3890	0.000	1	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCCH)(CCHH)(CCO)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCCH)(CCHH)(CCO)	113.2350	0.000	1	113.2350	0.000	1	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(CCH)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(CCH)	111.4140	1.522	2	111.4140	2.316	2	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(CCO)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(CCO)	111.6153	0.396	3	111.6153	0.157	3	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(CNP)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(CNP)	111.5205	0.056	2	111.5205	0.003	2	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)2(CCO)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)2(CCO)	112.7710	0.552	5	112.7710	0.305	5	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCO)	111.8660	0.000	1	111.8660	0.000	1	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CSS)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CSS)	112.9150	0.000	1	112.9150	0.000	1	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CH3)(COO)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CH3)(COO)	112.4135	0.331	4	112.4135	0.110	4	112.2814	0.640	20	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)(CH3)(CNS)	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)(CH3)(CNS)	109.9864	0.889	5	109.9864	0.791	5	111.0877	3.787	8	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(COO)	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(COO)	113.9420	0.972	2	113.9420	0.944	2	111.0877	3.787	8	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCO)	110.8860	0.000	1	110.8860	0.000	1	111.0877	3.787	8	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CC3)(CNO)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CC3)(CNO)	110.2880	0.000	1	110.2880	0.000	1	111.3960	2.455	2	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CCHH)2(CCO)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CCHH)2(CCO)	112.5040	0.000	1	112.5040	0.000	1	111.3960	2.455	2	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)2(CCO)	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)2(CCO)	112.9440	1.213	2	112.9440	1.472	2	112.9440	1.472	2	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	S[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CS[6]HH)(NCC)(H)2	C(S[6]C[6]2)(CHHN)(H)2	N(CCHH)2(CCO)	C(CS[6]HH)(NCC)(H)2	C(S[6]C[6]2)(CHHN)(H)2	N(CCHH)2(CCO)	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	112.1575	2.190	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.5945	0.804	2	113.5945	0.646	2	113.5945	0.646	2	113.5945	0.646	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(C[6a]C[6a]2)(CCHH)(H)	113.4400	0.000	1	113.4400	0.000	1	114.3265	1.572	2	114.3265	1.572	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	115.2130	0.000	1	115.2130	0.000	1	114.3265	1.572	2	114.3265	1.572	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:S-4:C-4:	C(CC[6a]HO)(NC[6a]S)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(CC[6a]HO)(NC[6a]S)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.5330	2.242	2	112.5330	5.024	2	112.5330	5.024	2	112.5330	5.024	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:1:1:	C-4:N-3:Cl-1:Cl-1:	C[6a]-3:C-4:N-2:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(NOO)(Cl)2	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	N(CCl2C)(O)2	C(CC[6a]HN)(NOO)(Cl)2	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	N(CCl2C)(O)2	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	108.1503	4.761	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:1:1:	C-4:N-3:Cl-1:Cl-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-1:O-1:	C(CC[6a]HO)(NOO)(Cl)2	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	N(CCl2C)(O)2	C(CC[6a]HO)(NOO)(Cl)2	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	N(CCl2C)(O)2	106.5735	0.878	2	106.5735	0.770	2	106.5735	0.770	2	108.1503	4.761	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:O-1:O-1:	C(CC[5a]HO)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	N(CCHH)(O)2	C(CC[5a]HO)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	N(CCHH)(O)2	110.1805	2.382	2	110.1805	5.675	2	110.1805	5.675	2	108.1503	4.761	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:O-1:O-1:	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(SC)(H)	N(CCHH)(O)2	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(SC)(H)	N(CCHH)(O)2	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	108.1503	4.761	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[5a]HO)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	N(CCHH)(CHN)(H)	C(CC[5a]HO)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	N(CCHH)(CHN)(H)	114.3390	0.266	2	114.3390	0.071	2	114.3390	0.071	2	114.2442	0.156	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:S-2:H-1:	C-4:C-3:H-1:	C(CC[5a]HS)(NCH)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	N(CCHH)(CCO)(H)	C(CC[5a]HS)(NCH)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	N(CCHH)(CCO)(H)	114.1580	0.000	1	114.1580	0.000	1	114.1580	0.000	1	114.2442	0.156	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CNO)(H)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CNO)(H)	113.6820	0.000	1	113.6820	0.000	1	114.1925	0.521	2	114.2442	0.156	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(COO)(H)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(COO)(H)	114.7030	0.000	1	114.7030	0.000	1	114.1925	0.521	2	114.2442	0.156	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:3:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]CH)(CC[6a]O)(CCHH)	114.8635	1.937	2	114.8635	3.751	2	114.8635	3.751	2	114.8635	3.751	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:2:2:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:C-3:H-1:	C(CC[6a]OO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)2	N(CCHH)(CCO)(H)	C(CC[6a]OO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)2	N(CCHH)(CCO)(H)	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	3:3:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[6a]HN)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	N(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HN)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	N(C[6a]C[6a]2)2(CCHH)	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	3:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-3:C-4:C-3:	C(CC[6a]HN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	N(CC[5a]O)(CCHH)(CCO)	C(CC[6a]HN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	N(CC[5a]O)(CCHH)(CCO)	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:	C(CC[6a]HN)(NC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]HN)(NC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:1:1:	C-4:N-3:Br-1:Br-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(NOO)(Br)2	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	N(CBr2C)(O)2	C(CC[6a]HN)(NOO)(Br)2	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	N(CBr2C)(O)2	107.6945	0.947	4	107.6945	0.897	4	107.6945	0.897	4	110.3908	7.686	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	N(CCHH)(O)2	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	N(CCHH)(O)2	111.3350	0.000	1	111.3350	0.000	1	110.0660	4.353	3	110.3908	7.686	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	N(CCHH)(O)2	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	N(CCHH)(O)2	109.4315	2.508	2	109.4315	6.291	2	110.0660	4.353	3	110.3908	7.686	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	N(CCHH)(O)2	112.4750	2.956	2	112.4750	8.736	2	112.7233	4.553	3	110.3908	7.686	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	N(CCHH)(O)2	113.2200	0.000	1	113.2200	0.000	1	112.7233	4.553	3	110.3908	7.686	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	N(CCHH)(O)2	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	N(CCHH)(O)2	114.6400	0.000	1	114.6400	0.000	1	112.7720	6.979	2	110.3908	7.686	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	N(CCHH)(O)2	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	N(CCHH)(O)2	110.9040	0.000	1	110.9040	0.000	1	112.7720	6.979	2	110.3908	7.686	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:3:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	S-4:C-3:C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	N(SC[6a]OO)(CC[6a]C)(CCHH)	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	113.1760	0.155	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:3:4:	C-4:N-3:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:C-3:C-4:	C(CCHN)(NCC)(H)2	C(NC[6]H)(CHHN)(COO)(H)	N(CC[6a]CH)(CC[6]O)(CCHH)	C(CCHN)(NCC)(H)2	C(NC[6]H)(CHHN)(COO)(H)	N(CC[6a]CH)(CC[6]O)(CCHH)	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	113.1760	0.155	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:2:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:O-1:O-1:	C(CC[6a]CO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	N(CCHH)(O)2	C(CC[6a]CO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	N(CCHH)(O)2	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:3:2:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	N(CCHH)(COO)(H)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	N(CCHH)(COO)(H)	115.1270	0.000	1	115.1270	0.000	1	115.1270	0.000	1	115.1270	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	3:3:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[6a]CH)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	N(C[6a]C[6a]2)2(CCHH)	C(CC[6a]CH)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	N(C[6a]C[6a]2)2(CCHH)	112.1855	0.783	2	112.1855	0.613	2	112.1855	0.613	2	112.1855	0.613	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	N(CC[6a]O)(CCHH)(H)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	N(CC[6a]O)(CCHH)(H)	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	112.5247	0.418	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	N(CC[5a]O)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	N(CC[5a]O)(CCHH)(H)	112.4800	0.000	1	112.4800	0.000	1	112.4700	0.477	6	112.5247	0.418	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	N(CC[6a]2)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	N(CC[6a]2)(CCHH)(H)	112.0120	0.610	3	112.0120	0.373	3	112.4700	0.477	6	112.5247	0.418	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	N(CC[6a]O)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	N(CC[6a]O)(CCHH)(H)	113.1520	0.280	2	113.1520	0.078	2	112.4700	0.477	6	112.5247	0.418	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C(CC[6a]CH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]CH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CC[6a]O)(CHHN)(CC3)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CC[6a]O)(CHHN)(CC3)(H)	N(CCHH)(O)2	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	N(CCHH)(O)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	N(CCHH)(O)2	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	N(CCHH)(O)2	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	N(CCHH)(O)2	108.9430	1.096	2	108.9430	1.201	2	110.1737	5.144	3	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	N(CCHH)(O)2	112.6350	0.000	1	112.6350	0.000	1	110.1737	5.144	3	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[6]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[6]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	N(CCHH)(O)2	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	N(CCHH)(O)2	109.3060	0.000	1	109.3060	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	N(CCHH)(O)2	111.4860	0.000	1	111.4860	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	N(CCHH)(O)2	110.8276	1.257	16	110.8276	1.580	16	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CCHH)(O)2	109.4560	0.573	3	109.4560	0.329	3	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	N(CCHH)(O)2	109.8480	0.000	1	109.8480	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(CCHH)(O)2	111.9523	0.866	4	111.9523	0.749	4	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CCHH)(O)2	110.1893	1.094	4	110.1893	1.198	4	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	N(CCHH)(O)2	110.5480	0.000	1	110.5480	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	N(CCHH)(O)2	110.6680	0.000	1	110.6680	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	N(CCHH)(O)2	111.0105	2.201	8	111.0105	4.846	8	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	N(CCHH)(O)2	110.7010	0.000	1	110.7010	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	N(CCHH)(O)2	107.7400	0.000	1	107.7400	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	N(CCHH)(O)2	111.6480	0.000	1	111.6480	0.000	1	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	N(CCHH)(O)2	110.2070	1.807	2	110.2070	3.267	2	110.6804	2.132	45	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[4]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[4]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[4]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	N(CCHH)(O)2	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	N(CCHH)(O)2	110.3486	1.570	16	110.3486	2.466	16	110.4277	2.392	21	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	N(CCHH)(O)2	108.9210	0.000	1	108.9210	0.000	1	110.4277	2.392	21	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	N(CCHH)(O)2	111.1205	1.478	4	111.1205	2.185	4	110.4277	2.392	21	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	N(CCHH)(O)2	110.4935	0.997	6	110.4935	0.994	6	110.6022	1.203	17	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	N(CCHH)(O)2	110.8302	1.107	10	110.8302	1.226	10	110.6022	1.203	17	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	N(CCHH)(O)2	108.9750	0.000	1	108.9750	0.000	1	110.6022	1.203	17	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	N(CCHH)(O)2	111.5580	0.000	1	111.5580	0.000	1	110.2245	3.556	2	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	N(CCHH)(O)2	108.8910	0.000	1	108.8910	0.000	1	110.2245	3.556	2	110.6270	2.055	93	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	N(CCHH)(CCO)(H)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	N(CCHH)(CCO)(H)	113.2832	0.767	4	113.2832	0.588	4	113.2832	0.588	4	113.2832	0.588	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	110.4890	0.000	1	110.4890	0.000	1	110.4890	0.000	1	110.4890	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CB[5]CH)(NCC)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	N(CCHH)2(COO)	C(CB[5]CH)(NCC)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	N(CCHH)2(COO)	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	114.1882	0.234	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	N(CCHH)2(CCO)	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	N(CCHH)2(CCO)	114.0753	0.523	3	114.0753	0.274	3	114.0753	0.274	3	114.1882	0.234	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:2:	3:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:	C(CC[5a]CO)(NC[6a]C)(H)2	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[5a]CO)(NC[6a]C)(H)2	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	N(C[6a]C[6a]2)(CCHH)(CH3)	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	N(CCHH)(CHO)(H)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	N(CCHH)(CHO)(H)	111.9940	0.068	2	111.9940	0.005	2	112.6658	1.060	4	112.6658	1.060	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	N(CCHH)(COO)(H)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	N(CCHH)(COO)(H)	114.1650	0.000	1	114.1650	0.000	1	112.6658	1.060	4	112.6658	1.060	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	N(CCHH)(CCO)(H)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	N(CCHH)(CCO)(H)	112.5100	0.000	1	112.5100	0.000	1	112.6658	1.060	4	112.6658	1.060	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:3:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:O-1:O-1:	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	N(CCHH)(O)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	N(CCHH)(O)2	112.8090	1.838	3	112.8090	3.377	3	112.8090	3.377	3	113.0850	2.506	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:3:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:O-1:O-1:	C(CC[6a]CN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	N(CCHH)(O)2	C(CC[6a]CN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	N(CCHH)(O)2	112.3370	0.000	1	112.3370	0.000	1	112.3370	0.000	1	113.0850	2.506	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:3:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:P-4:N-3:	C-4:O-1:O-1:	C(CC[6a]NP)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	N(CCHH)(O)2	C(CC[6a]NP)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	N(CCHH)(O)2	114.6610	0.000	1	114.6610	0.000	1	114.6610	0.000	1	113.0850	2.506	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:3:	4:3:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CN[5a]CC)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	N(CCHH)(COO)(H)	C(CN[5a]CC)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	N(CCHH)(COO)(H)	112.6282	0.410	5	112.6282	0.168	5	112.6282	0.168	5	112.6282	0.168	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:3:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:H-1:	C(CC[6a]CN)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	N(CC[6a]CH)(CCHH)(H)	C(CC[6a]CN)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	N(CC[6a]CH)(CCHH)(H)	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:O-1:O-1:	C(CC[5a]CC)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	N(CCHH)(O)2	C(CC[5a]CC)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	N(CCHH)(O)2	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	113.0730	1.846	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-1:O-1:	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	N(CCHH)(O)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	N(CCHH)(O)2	111.1270	0.000	1	111.1270	0.000	1	112.7782	1.882	4	113.0730	1.846	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-1:O-1:	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	N(CCHH)(O)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	N(CCHH)(O)2	113.3287	1.002	3	113.3287	1.005	3	112.7782	1.882	4	113.0730	1.846	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC[6a]CC)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	N(CCHH)(CCO)(H)	C(CC[6a]CC)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	N(CCHH)(CCO)(H)	116.7650	0.117	2	116.7650	0.014	2	116.7650	0.014	2	116.7650	0.014	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	N(CCHH)2(CCO)	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	N(CCHH)2(CCO)	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	2:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4a])(CCHH)2	113.3155	0.551	2	113.3155	0.303	2	113.3155	0.303	2	113.3155	0.303	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-3:C-4:	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[3x4,3x6]O)2(CCHH)	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[3x4,3x6]O)2(CCHH)	113.6560	0.000	1	113.6560	0.000	1	113.6560	0.000	1	113.3050	0.246	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:P-3:C-4:	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PC[6a]2)2(CCHH)	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PC[6a]2)2(CCHH)	112.9540	0.000	1	112.9540	0.000	1	112.9540	0.000	1	113.3050	0.246	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:H-1:	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CC[3x4,3x6]O)(CCHH)(H)	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CC[3x4,3x6]O)(CCHH)(H)	113.6540	0.000	1	113.6540	0.000	1	112.3340	3.967	3	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:H-1:	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]O)(CCHH)(H)	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]O)(CCHH)(H)	113.3050	0.000	1	113.3050	0.000	1	112.3340	3.967	3	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:H-1:	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CN[5]O)(CCHH)(H)	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CN[5]O)(CCHH)(H)	110.0430	0.000	1	110.0430	0.000	1	112.3340	3.967	3	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:F-1:H-1:H-1:	C-3:C-4:H-1:	C(CFHH)(NCH)(H)2	C(CHHN)(F)(H)2	N(CC[6a]O)(CCHH)(H)	C(CFHH)(NCH)(H)2	C(CHHN)(F)(H)2	N(CC[6a]O)(CCHH)(H)	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[4,5,6]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[4,5,6]O)(CCHH)(H)	110.9210	0.000	1	110.9210	0.000	1	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5,5,6]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5,5,6]O)(CCHH)(H)	111.6592	1.052	6	111.6592	1.106	6	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5,6]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5,6]O)(CCHH)(H)	112.7912	0.729	6	112.7912	0.531	6	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5]O)(CCHH)(H)	112.5890	0.000	1	112.5890	0.000	1	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5a]C[5])(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5a]C[5])(CCHH)(H)	110.4250	0.000	1	110.4250	0.000	1	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5a]H)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5a]H)(CCHH)(H)	112.6640	0.000	1	112.6640	0.000	1	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5a]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[5a]O)(CCHH)(H)	112.4860	0.000	1	112.4860	0.000	1	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[6a]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[6a]O)(CCHH)(H)	112.4324	0.886	7	112.4324	0.785	7	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[6a]S)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CC[6a]S)(CCHH)(H)	112.3850	0.000	1	112.3850	0.000	1	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CN[5]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CN[5]O)(CCHH)(H)	112.8900	0.000	1	112.8900	0.000	1	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CN[5]S)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CN[5]S)(CCHH)(H)	112.5523	0.542	3	112.5523	0.294	3	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CN[6]O)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CN[6]O)(CCHH)(H)	112.6185	1.039	2	112.6185	1.079	2	112.2898	0.834	31	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:O-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(H)2(O)	N(CC[6a]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(H)2(O)	N(CC[6a]O)(CCHH)(H)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	112.2731	0.966	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:C-3:	C(CF3)(NCC)(H)2	C(CHHN)(F)3	N(CC[6a]O)(CCHH)(CCO)	C(CF3)(NCC)(H)2	C(CHHN)(F)3	N(CC[6a]O)(CCHH)(CCO)	110.9265	0.104	2	110.9265	0.011	2	110.9265	0.011	2	111.4580	0.386	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6]O)(CCHH)(CCH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6]O)(CCHH)(CCH)	111.9000	0.000	1	111.9000	0.000	1	111.9895	0.016	2	111.4580	0.386	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]O)(CCHH)(CNN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]O)(CCHH)(CNN)	112.0790	0.000	1	112.0790	0.000	1	111.9895	0.016	2	111.4580	0.386	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:C-4:	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[5a]O)(CCHH)2	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[5a]O)(CCHH)2	112.6677	1.675	4	112.6677	2.805	4	112.6677	2.805	4	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Br)(CCHH)2	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Br)(CCHH)2	113.0640	0.348	2	113.0640	0.121	2	112.8778	0.840	12	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Cr)(CCHH)2	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Cr)(CCHH)2	113.2790	1.645	2	113.2790	2.705	2	112.8778	0.840	12	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Fe)(CCHH)2	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Fe)(CCHH)2	112.3930	0.923	4	112.3930	0.851	4	112.8778	0.840	12	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Ru)(CCHH)2	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]Ru)(CCHH)2	112.9335	0.800	2	112.9335	0.640	2	112.8778	0.840	12	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]W)(CCHH)2	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[5]W)(CCHH)2	113.2045	1.293	2	113.2045	1.673	2	112.8778	0.840	12	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[3,5]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[3,5]O)(CCHH)2	113.6835	0.820	2	113.6835	0.672	2	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[3]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[3]O)(CCHH)2	113.0856	0.735	20	113.0856	0.541	20	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4,6]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4,6]O)(CCHH)2	113.6265	0.452	4	113.6265	0.204	4	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4]O)(CCHH)2	113.1748	0.672	4	113.1748	0.451	4	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5,6]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5,6]O)(CCHH)2	112.6745	0.899	8	112.6745	0.807	8	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5]C)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5]C)(CCHH)2	113.3165	1.329	2	113.3165	1.765	2	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5]S)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5]S)(CCHH)2	113.9745	0.573	2	113.9745	0.329	2	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5a]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5a]O)(CCHH)2	112.9525	0.601	4	112.9525	0.361	4	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6]O)(CCHH)2	112.6518	0.893	56	112.6518	0.798	56	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]C)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]C)(CCHH)2	112.6910	0.674	4	112.6910	0.454	4	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]N)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]N)(CCHH)2	111.1273	0.181	4	111.1273	0.033	4	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]O)(CCHH)2	112.8416	0.964	56	112.8416	0.929	56	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5]N)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5]N)(CCHH)2	113.0470	1.499	2	113.0470	2.247	2	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5]O)(CCHH)2	111.8975	0.185	2	111.8975	0.034	2	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5a]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5a]O)(CCHH)2	112.4990	0.605	2	112.4990	0.366	2	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[6]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[6]O)(CCHH)2	113.8477	0.975	4	113.8477	0.952	4	112.8253	0.871	176	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]2)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]2)(CCHH)2	114.9223	1.010	4	114.9223	1.021	4	114.2131	1.335	33	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]O)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]O)(CCHH)2	115.3625	1.964	4	115.3625	3.857	4	114.2131	1.335	33	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]P)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]P)(CCHH)2	114.3025	0.555	2	114.3025	0.308	2	114.2131	1.335	33	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5a]N)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5a]N)(CCHH)2	113.7191	0.876	14	113.7191	0.767	14	114.2131	1.335	33	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)(CH3)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)(CH3)	112.9380	0.000	1	112.9380	0.000	1	114.2131	1.335	33	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)2	114.4613	0.870	6	114.4613	0.757	6	114.2131	1.335	33	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PN[6]P)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PN[6]P)(CCHH)2	113.7565	0.944	2	113.7565	0.891	2	114.2131	1.335	33	113.0288	1.193	225	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CH3)(NOO)(H)2	C(CHHN)(H)3	N(CCHH)(O)2	C(CH3)(NOO)(H)2	C(CHHN)(H)3	N(CCHH)(O)2	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:H-1:	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CFeN)(H)	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CFeN)(H)	113.9760	0.000	1	113.9760	0.000	1	111.8377	4.119	3	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:H-1:	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CNO)(H)	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CNO)(H)	109.9380	0.000	1	109.9380	0.000	1	111.8377	4.119	3	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:H-1:	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(COP)(H)	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(COP)(H)	111.5990	0.000	1	111.5990	0.000	1	111.8377	4.119	3	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(H)2	C(CHHN)(F)3	N(CCHH)(CHO)(H)	C(CF3)(NCH)(H)2	C(CHHN)(F)3	N(CCHH)(CHO)(H)	111.2330	0.000	1	111.2330	0.000	1	111.2330	0.000	1	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCC)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCC)(H)	115.2290	0.000	1	115.2290	0.000	1	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCH)(H)	112.5990	0.000	1	112.5990	0.000	1	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCN)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCN)(H)	112.2460	0.000	1	112.2460	0.000	1	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCO)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCO)(H)	111.7630	0.819	2	111.7630	0.670	2	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCS)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CCS)(H)	111.0265	0.779	2	111.0265	0.606	2	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNN)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNN)(H)	111.2360	1.838	14	111.2360	3.377	14	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNO)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNO)(H)	111.8017	3.028	35	111.8017	9.169	35	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNS)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNS)(H)	111.3983	1.620	130	111.3983	2.625	130	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(COO)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(COO)(H)	110.9040	0.448	2	110.9040	0.201	2	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CSS)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CSS)(H)	107.0050	0.000	1	107.0050	0.000	1	111.4635	3.927	189	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:O-1:	C(CH3)(NCO)(H)2	C(CHHN)(H)3	N(CCHH)(CCH)(O)	C(CH3)(NCO)(H)2	C(CHHN)(H)3	N(CCHH)(CCH)(O)	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	111.4624	3.876	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:2:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:N-2:	C(CClHH)(NCN)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CNO)(NO)	C(CClHH)(NCN)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CNO)(NO)	112.2680	0.513	2	112.2680	0.264	2	112.2680	0.264	2	112.2680	0.264	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:C-3:	C(CF3)(NCC)(H)2	C(CHHN)(F)3	N(CCHH)(CCO)2	C(CF3)(NCC)(H)2	C(CHHN)(F)3	N(CCHH)(CCO)2	110.6485	0.100	2	110.6485	0.010	2	110.6485	0.010	2	111.1087	0.640	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CClC)(CCN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CClC)(CCN)	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	111.1087	0.640	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CSeN)(CH3)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CSeN)(CH3)	112.2010	0.000	1	112.2010	0.000	1	112.0375	0.053	2	112.0375	0.053	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HO)(CC[6a]O)(CCHH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HO)(CC[6a]O)(CCHH)	111.8740	0.000	1	111.8740	0.000	1	112.0375	0.053	2	112.0375	0.053	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:S-4:H-1:	C(CClHH)(NHS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(SNOO)(H)	C(CClHH)(NHS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(SNOO)(H)	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	114.8473	22.678	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(CCHH)(PCHW)(H)	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(CCHH)(PCHW)(H)	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	114.8473	22.678	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(H)2(N)	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(H)2(N)	N(CCHH)2(H)	120.1900	0.000	1	120.1900	0.000	1	120.1900	0.000	1	114.8473	22.678	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CN)	113.2210	1.175	2	113.2210	1.381	2	113.2620	3.234	4	113.1346	2.146	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CO)	113.3030	2.884	2	113.3030	8.315	2	113.2620	3.234	4	113.1346	2.146	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CH3)(NCN)(H)2	C(CHHN)(H)3	N(CCHH)2(NN)	C(CH3)(NCN)(H)2	C(CHHN)(H)3	N(CCHH)2(NN)	113.5240	1.332	6	113.5240	1.774	6	113.5240	1.774	6	113.1346	2.146	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CH3)(NCO)(H)2	C(CHHN)(H)3	N(CCHH)2(OC)	C(CH3)(NCO)(H)2	C(CHHN)(H)3	N(CCHH)2(OC)	111.7115	0.107	2	111.7115	0.011	2	111.7115	0.011	2	113.1346	2.146	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:Br-1:H-1:H-1:	S-4:C-4:C-3:	C(CBrHH)(NCS)(H)2	C(CHHN)(Br)(H)2	N(SC[6a]OO)(CCHH)(CBrC)	C(CBrHH)(NCS)(H)2	C(CHHN)(Br)(H)2	N(SC[6a]OO)(CCHH)(CBrC)	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:S-4:C-3:	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(SNOO)(COO)	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(SNOO)(COO)	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(CCHH)2(BClN)	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(CCHH)2(BClN)	114.5995	0.120	2	114.5995	0.014	2	114.5995	0.014	2	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(CCC)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(CCC)	113.9550	0.000	2	113.9550	0.000	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(CSS)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(CSS)	113.4737	0.498	3	113.4737	0.248	3	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)(CCO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)(CCO)	110.5750	0.421	2	110.5750	0.178	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)(CNS)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)(CNS)	111.4770	0.000	1	111.4770	0.000	1	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CHHS)(COO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CHHS)(COO)	113.6645	0.554	2	113.6645	0.307	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCC)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCC)	112.0862	0.236	6	112.0862	0.056	6	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCH)	112.7009	1.774	32	112.7009	3.147	32	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCN)	112.7464	1.501	51	112.7464	2.254	51	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCO)	112.4975	1.255	141	112.4975	1.576	141	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCS)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCS)	111.3605	0.516	6	111.3605	0.267	6	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CFeC)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CFeC)	112.1640	0.089	2	112.1640	0.008	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)	110.6430	0.281	2	110.6430	0.079	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHO)	112.1124	3.406	36	112.1124	11.604	36	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CIrN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CIrN)	111.6720	0.416	2	111.6720	0.173	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNN)	113.0898	1.369	63	113.0898	1.873	63	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNO)	112.7550	0.933	31	112.7550	0.871	31	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNS)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNS)	112.4666	1.378	211	112.4666	1.898	211	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(COO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(COO)	112.6056	1.485	63	112.6056	2.204	63	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(COS)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(COS)	112.3500	0.762	2	112.3500	0.581	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSS)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSS)	112.2409	1.264	198	112.2409	1.599	198	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSW)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSW)	111.9250	0.017	2	111.9250	0.000	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSe2)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSe2)	111.3568	1.646	4	111.3568	2.708	4	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSeC)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSeC)	112.2794	0.732	8	112.2794	0.536	8	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSeN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSeN)	111.8912	1.233	30	111.8912	1.521	30	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(CCN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(CCN)	112.4185	0.582	2	112.4185	0.339	2	112.4554	2.207	902	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNP)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNP)	113.3180	0.962	6	113.3180	0.926	6	113.4566	0.700	12	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNS)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNS)	113.6000	0.943	4	113.6000	0.890	4	113.4566	0.700	12	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(POO)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(POO)	113.5855	0.409	2	113.5855	0.168	2	113.4566	0.700	12	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2Pd)(CCHH)(CNO)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2Pd)(CCHH)(CNO)	112.2340	0.000	1	112.2340	0.000	1	112.3427	0.259	3	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2Pt)(CCHH)(CNO)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2Pt)(CCHH)(CNO)	112.3970	0.707	2	112.3970	0.500	2	112.3427	0.259	3	112.4672	2.209	921	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:S-4:	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)2(SNOO)	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)2(SNOO)	113.0025	1.528	2	113.0025	2.335	2	113.0025	2.335	2	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CAlNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CAlNN)(CCHH)2	112.8128	0.726	5	112.8128	0.527	5	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNNY)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNNY)	112.3010	0.025	2	112.3010	0.001	2	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSSV)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSSV)	112.8685	0.718	2	112.8685	0.515	2	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CHfNO)(CCHH)(CH3)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CHfNO)(CCHH)(CH3)	113.2660	0.000	1	113.2660	0.000	1	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CIrNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CIrNN)(CCHH)2	112.4664	3.083	5	112.4664	9.507	5	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CPdNS)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CPdNS)(CCHH)2	112.1660	0.612	2	112.1660	0.375	2	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CRhOO)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CRhOO)(CCHH)2	113.0380	0.605	2	113.0380	0.366	2	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CZnNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CZnNN)(CCHH)2	113.6810	0.697	2	113.6810	0.486	2	112.7510	2.279	21	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PCHW)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PCHW)	113.4060	0.315	4	113.4060	0.099	4	113.5853	0.872	61	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PCNN)	113.6748	0.872	18	113.6748	0.760	18	113.5853	0.872	61	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PINN)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PINN)	112.6052	1.272	6	112.6052	1.617	6	113.5853	0.872	61	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PN3)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PN3)	113.6638	0.828	27	113.6638	0.686	27	113.5853	0.872	61	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNNO)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNNO)	114.0635	1.060	6	114.0635	1.124	6	113.5853	0.872	61	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]2B)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]2B)(CCHH)2	114.1385	0.378	2	114.1385	0.143	2	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]CrP)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]CrP)(CCHH)2	114.2070	0.559	2	114.2070	0.312	2	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]FeC)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]FeC)(CCHH)2	113.7135	0.520	4	113.7135	0.270	4	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]PdO)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]PdO)(CCHH)2	113.4625	1.162	2	113.4625	1.350	2	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]Fe2)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]Fe2)(CCHH)2	114.7615	2.065	2	114.7615	4.266	2	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PCoOO)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PCoOO)(CCHH)2	112.9530	1.879	2	112.9530	3.532	2	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PPdNO)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PPdNO)(CCHH)2	112.7193	1.602	4	112.7193	2.567	4	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PZnBN)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PZnBN)(CCHH)2	113.6370	1.433	2	113.6370	2.052	2	113.6025	1.485	20	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PC[6a]2Fe)2(CCHH)	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PC[6a]2Fe)2(CCHH)	114.5500	0.583	2	114.5500	0.339	2	114.7347	0.272	3	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PMoOO)2(CCHH)	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PMoOO)2(CCHH)	115.1040	0.000	1	115.1040	0.000	1	114.7347	0.272	3	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(SC[6a]OO)(CCHH)2	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(SC[6a]OO)(CCHH)2	112.7925	2.440	2	112.7925	5.955	2	112.7925	5.955	2	113.4341	1.417	109	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NN)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NN)(H)2	N(CC[6]O)(CCHH)(H)	111.9630	1.481	2	111.9630	2.192	2	111.8013	1.175	3	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NS)(H)2	N(CC[6]H)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NS)(H)2	N(CC[6]H)(CCHH)(H)	111.4780	0.000	1	111.4780	0.000	1	111.8013	1.175	3	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[5a]C[5])(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[5a]C[5])(CCHH)(H)	110.0220	0.000	1	110.0220	0.000	1	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6]H)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6]H)(CCHH)(H)	110.6420	0.000	1	110.6420	0.000	1	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]O)(CCHH)(H)	111.6772	1.711	14	111.6772	2.927	14	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[5]O)(CCHH)(H)	111.6075	1.016	2	111.6075	1.032	2	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[5a]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[5a]O)(CCHH)(H)	115.3390	0.000	1	115.3390	0.000	1	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6]C)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6]C)(CCHH)(H)	109.4427	0.972	3	109.4427	0.944	3	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6]H)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6]H)(CCHH)(H)	111.5337	0.254	3	111.5337	0.065	3	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6]O)(CCHH)(H)	112.8050	0.000	1	112.8050	0.000	1	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]C[6])(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]C[6])(CCHH)(H)	109.8920	0.000	1	109.8920	0.000	1	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]O)(CCHH)(H)	111.5633	1.660	14	111.5633	2.754	14	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]Se)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]Se)(CCHH)(H)	109.5380	0.000	1	109.5380	0.000	1	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(ON)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(ON)(H)2	N(CC[6a]O)(CCHH)(H)	112.7170	0.751	3	112.7170	0.563	3	111.5089	2.761	45	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CC[5]O)(CCHH)(H)	113.7995	0.688	2	113.7995	0.473	2	113.1450	1.522	3	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	N(CC[6a]O)(CCHH)(H)	111.8360	0.000	1	111.8360	0.000	1	113.1450	1.522	3	111.6223	2.690	51	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]C)(CCHH)(CCO)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]C)(CCHH)(CCO)	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CC[5a]O)(CCHH)(CH3)	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CC[5a]O)(CCHH)(CH3)	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	114.0653	3.009	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]O)(CCHH)2	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]O)(CCHH)2	114.2330	0.000	1	114.2330	0.000	1	113.2393	1.949	3	114.0653	3.009	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CC[5]O)(CCHH)2	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CC[5]O)(CCHH)2	112.7425	1.555	2	112.7425	2.418	2	113.2393	1.949	3	114.0653	3.009	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CC[6]O)(CCHH)2	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CC[6]O)(CCHH)2	114.8395	2.028	4	114.8395	4.113	4	114.8395	4.113	4	114.0653	3.009	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:	C(CHHO)(NHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(H)2	C(CHHO)(NHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(H)2	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CCC)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CCC)(H)	109.6800	0.000	1	109.6800	0.000	1	111.7427	3.775	3	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(COO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(COO)(H)	112.7740	1.080	2	112.7740	1.167	2	111.7427	3.775	3	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CCC)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CCC)(H)	110.2500	0.000	1	110.2500	0.000	1	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CCO)(H)	112.3278	1.092	6	112.3278	1.192	6	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CNO)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CNO)(H)	112.9643	1.495	9	112.9643	2.236	9	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CNS)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CNS)(H)	110.8315	0.255	2	110.8315	0.065	2	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CCN)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CCN)(H)	108.6460	0.000	1	108.6460	0.000	1	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CCO)(H)	112.2840	0.718	3	112.2840	0.516	3	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CNO)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CNO)(H)	110.2440	0.000	1	110.2440	0.000	1	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CNS)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CNS)(H)	112.7563	1.054	3	112.7563	1.110	3	112.1758	2.298	26	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CCC)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CCC)(H)	113.1425	2.289	2	113.1425	5.239	2	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CCN)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CCN)(H)	110.9160	0.000	1	110.9160	0.000	1	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CCO)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CCO)(H)	112.7900	0.867	2	112.7900	0.752	2	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNN)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNN)(H)	112.6050	0.000	1	112.6050	0.000	1	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNO)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNO)(H)	111.2540	0.000	1	111.2540	0.000	1	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNS)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNS)(H)	110.6180	1.341	2	110.6180	1.797	2	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	N(CCHH)(CCO)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	N(CCHH)(CCO)(H)	111.5033	0.960	3	111.5033	0.922	3	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	N(CCHH)(COO)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	N(CCHH)(COO)(H)	112.1420	0.000	1	112.1420	0.000	1	111.8868	1.667	13	112.0554	2.099	42	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CC[6a]H)(CCHH)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CC[6a]H)(CCHH)	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH)(H)2	N(CCHH)2(H)	115.5000	0.000	1	115.5000	0.000	1	111.6700	13.791	3	112.8219	6.134	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NN)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NN)(H)2	N(CCHH)2(H)	109.7550	2.362	2	109.7550	5.578	2	111.6700	13.791	3	112.8219	6.134	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:P-4:H-1:	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(PCOO)(H)	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(PCOO)(H)	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	112.8219	6.134	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(H)	113.5833	1.849	4	113.5833	3.420	4	113.5833	3.420	4	112.8219	6.134	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:	C(CHHS)(NHP)(H)2	C(CHHN)(SNi)(H)2	N(PNiCC)(CCHH)(H)	C(CHHS)(NHP)(H)2	C(CHHN)(SNi)(H)2	N(PNiCC)(CCHH)(H)	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	112.8219	6.134	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHS)(NHS)(H)2	C(CHHN)(SP)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHS)(NHS)(H)2	C(CHHN)(SP)(H)2	N(SC[6a]OO)(CCHH)(H)	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	112.8219	6.134	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:	C(CHHO)(NCN)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(NO)	C(CHHO)(NCN)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(NO)	113.1720	0.107	2	113.1720	0.012	2	113.1720	0.012	2	113.1720	0.012	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CC)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)(CC)(H)2	N(CCHH)2(CCO)	112.3500	0.000	1	112.3500	0.000	1	112.4507	0.522	3	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCHH)2(CSS)	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCHH)2(CSS)	112.5010	1.014	2	112.5010	1.028	2	112.4507	0.522	3	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)(CCO)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)(CCO)	113.0490	0.000	1	113.0490	0.000	1	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)(CSS)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)(CSS)	113.5260	0.000	1	113.5260	0.000	1	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CCO)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CCO)	113.1503	1.554	43	113.1503	2.416	43	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CNO)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CNO)	113.8200	1.240	2	113.8200	1.538	2	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CNS)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CNS)	112.8110	0.000	1	112.8110	0.000	1	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CSS)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CSS)	113.1310	1.156	4	113.1310	1.336	4	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCCH)(CCHH)(CSS)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCCH)(CCHH)(CSS)	112.9663	1.587	12	112.9663	2.520	12	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)(CNS)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)(CNS)	112.8370	0.000	1	112.8370	0.000	1	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)(CSS)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)(CSS)	114.4168	6.505	5	114.4168	42.312	5	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CHN)	113.6535	1.336	2	113.6535	1.784	2	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CNS)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CNS)	113.3308	0.742	22	113.3308	0.550	22	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CSS)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CSS)	112.9479	1.662	16	112.9479	2.763	16	113.2116	3.394	110	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:C-3:	C(CHHO)(NCS)(H)2	C(CHHN)(OH)(H)2	N(SC[6a]OO)(CCHH)(CCO)	C(CHHO)(NCS)(H)2	C(CHHN)(OH)(H)2	N(SC[6a]OO)(CCHH)(CCO)	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CNO)	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CNO)	113.3208	1.386	6	113.3208	1.920	6	113.1361	1.379	10	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CNS)	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CNS)	112.8910	0.611	2	112.8910	0.373	2	113.1361	1.379	10	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(COO)	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(COO)	112.8270	1.387	2	112.8270	1.925	2	113.1361	1.379	10	113.1804	3.136	124	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)(CN)(H)2	N(SC[6a]OO)(CCHH)2	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.1905	1.266	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:S-4:C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	111.1905	1.266	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:2:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-3:C-4:H-1:	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	N(CC[6]C)(CCHH)(H)	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	N(CC[6]C)(CCHH)(H)	110.3860	0.000	1	110.3860	0.000	1	111.2110	1.361	2	111.2110	1.361	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:2:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-3:C-4:H-1:	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	N(CC[6a]O)(CCHH)(H)	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	N(CC[6a]O)(CCHH)(H)	112.0360	0.000	1	112.0360	0.000	1	111.2110	1.361	2	111.2110	1.361	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:C-3:H-1:	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	N(CCHH)(CNS)(H)	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	N(CCHH)(CNS)(H)	112.1587	0.318	6	112.1587	0.101	6	112.1587	0.101	6	112.1587	0.101	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:2:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:C-4:H-1:	S-4:C-4:H-1:	C(CCHS)(NHS)(H)2	C(CC[6a]2H)(SC[6a])(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CCHS)(NHS)(H)2	C(CC[6a]2H)(SC[6a])(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]C)(CC[6a]O)(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]C)(CC[6a]O)(CCHH)	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	112.6115	2.844	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-3:P-3:C-4:	C(CHHN)(NPP)(H)2	C(CHHN)(NCC)(H)2	N(PC[6a]2)2(CCHH)	C(CHHN)(NPP)(H)2	C(CHHN)(NCC)(H)2	N(PC[6a]2)2(CCHH)	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	112.6115	2.844	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	N(CC[5a]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	N(CC[5a]H)(CCHH)(H)	111.6600	0.000	1	111.6600	0.000	1	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]O)(CCHH)(H)	111.6220	0.000	1	111.6220	0.000	1	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CC[5]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CC[5]O)(CCHH)(H)	110.8900	0.000	1	110.8900	0.000	1	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]O)(CCHH)(H)	111.0325	1.166	2	111.0325	1.360	2	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[5]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[5]O)(CCHH)(H)	111.5525	0.565	2	111.5525	0.319	2	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[5a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[5a]O)(CCHH)(H)	112.3258	0.920	12	112.3258	0.846	12	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]C[5])(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]C[5])(CCHH)(H)	111.5830	0.000	1	111.5830	0.000	1	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]O)(CCHH)(H)	110.0380	0.000	1	110.0380	0.000	1	111.8511	0.979	21	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[4]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[4]O)(CCHH)(H)	110.6450	0.000	1	110.6450	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]H)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]H)(CCHH)(H)	110.8672	0.745	6	110.8672	0.555	6	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]O)(CCHH)(H)	111.4360	0.000	1	111.4360	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]C)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]C)(CCHH)(H)	109.1380	0.000	1	109.1380	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]H)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]H)(CCHH)(H)	111.5505	0.873	2	111.5505	0.763	2	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]O)(CCHH)(H)	111.4520	0.880	3	111.4520	0.775	3	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]H)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]H)(CCHH)(H)	110.3020	0.711	4	110.3020	0.506	4	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]O)(CCHH)(H)	111.2295	1.652	58	111.2295	2.731	58	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]S)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]S)(CCHH)(H)	110.3379	2.258	14	110.3379	5.098	14	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]C)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]C)(CCHH)(H)	114.1020	0.000	1	114.1020	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]O)(CCHH)(H)	112.2564	1.159	5	112.2564	1.344	5	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5a]C[5])(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5a]C[5])(CCHH)(H)	108.7170	0.000	1	108.7170	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5a]O)(CCHH)(H)	111.8816	1.013	8	111.8816	1.026	8	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6]C)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6]C)(CCHH)(H)	110.3685	0.552	2	110.3685	0.305	2	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6]H)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6]H)(CCHH)(H)	111.4573	1.410	4	111.4573	1.987	4	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6]O)(CCHH)(H)	111.0290	0.714	14	111.0290	0.510	14	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]C)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]C)(CCHH)(H)	113.1730	0.000	1	113.1730	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]C[5])(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]C[5])(CCHH)(H)	111.5510	0.000	1	111.5510	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]O)(CCHH)(H)	111.5419	1.469	34	111.5419	2.158	34	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]S)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]S)(CCHH)(H)	112.2055	0.094	2	112.2055	0.009	2	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHS)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHS)(H)2	N(CC[5]O)(CCHH)(H)	112.0860	0.000	1	112.0860	0.000	1	111.2494	2.337	164	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SPtC)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SPtC)(H)2	N(CC[5]O)(CCHH)(H)	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	111.3223	2.205	186	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]O)(CCHH)(CNO)	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]O)(CCHH)(CNO)	113.2680	0.000	1	113.2680	0.000	1	107.5415	65.586	2	107.5415	65.586	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CHH)(H)2	N(CC[6a]O)(CCHH)(CCH)	C(CCHH)(NCC)(H)2	C(CHHN)(CHH)(H)2	N(CC[6a]O)(CCHH)(CCH)	101.8150	0.000	1	101.8150	0.000	1	107.5415	65.586	2	107.5415	65.586	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]O)(CCHH)(CH3)	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]O)(CCHH)(CH3)	111.9165	0.551	2	111.9165	0.303	2	111.9165	0.303	2	111.8853	0.155	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]O)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]O)(CCHH)(CH3)	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.8853	0.155	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)2	107.9480	3.072	2	107.9480	9.435	2	112.4810	61.106	30	112.4767	59.070	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(H)2	112.8048	7.978	28	112.8048	63.652	28	112.4810	61.106	30	112.4767	59.070	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHS)(NHH)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)(H)2	C(CHHS)(NHH)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)(H)2	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	112.4767	59.070	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CCO)(H)	112.2701	0.807	7	112.2701	0.651	7	112.3757	0.762	28	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CNN)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CNN)(H)	111.0600	0.000	1	111.0600	0.000	1	112.3757	0.762	28	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(COO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(COO)(H)	112.9367	0.450	3	112.9367	0.202	3	112.3757	0.762	28	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(CCO)(H)	112.3333	0.966	10	112.3333	0.933	10	112.3757	0.762	28	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(CNO)(H)	112.8280	0.991	2	112.8280	0.983	2	112.3757	0.762	28	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(CNS)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(CNS)(H)	112.3538	0.963	5	112.3538	0.927	5	112.3757	0.762	28	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCH)(H)	111.5670	0.000	1	111.5670	0.000	1	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCN)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCN)(H)	111.8100	2.765	3	111.8100	7.645	3	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCO)(H)	110.8751	2.052	9	110.8751	4.210	9	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNO)(H)	111.2846	1.527	90	111.2846	2.330	90	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNS)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNS)(H)	110.6569	1.635	29	110.6569	2.674	29	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCC)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCC)(H)	112.6392	3.468	13	112.6392	12.030	13	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCH)(H)	112.1240	0.826	2	112.1240	0.682	2	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCN)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCN)(H)	113.2290	0.426	2	113.2290	0.181	2	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCO)(H)	111.5478	1.719	53	111.5478	2.955	53	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CHO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CHO)(H)	110.9130	0.000	1	110.9130	0.000	1	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CNO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CNO)(H)	111.4961	0.483	7	111.4961	0.234	7	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CNS)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CNS)(H)	111.0228	1.085	5	111.0228	1.178	5	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(COO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(COO)(H)	112.8149	1.163	7	112.8149	1.352	7	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(COP)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(COP)(H)	111.4180	0.000	1	111.4180	0.000	1	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCS)(H)2	N(CCHH)(COO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCS)(H)2	N(CCHH)(COO)(H)	113.1840	1.242	2	113.1840	1.542	2	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(CCN)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(CCN)(H)	132.4840	0.000	1	132.4840	0.000	1	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(CNS)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(CNS)(H)	112.6020	0.000	1	112.6020	0.000	1	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHS)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHS)(H)2	N(CCHH)(CCO)(H)	112.2930	0.000	1	112.2930	0.000	1	111.5261	5.108	228	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SPt2)(H)2	N(CCHH)(CNO)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SPt2)(H)2	N(CCHH)(CNO)(H)	111.6580	0.000	2	111.6580	0.000	2	111.6580	0.000	2	111.6194	4.662	258	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CCC)(NCH)	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CCC)(NCH)	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.1595	0.041	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCO)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCO)2	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	111.1595	0.041	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CIrH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CIrH)(CH3)	113.3715	0.317	2	113.3715	0.101	2	115.6830	13.160	4	115.6830	13.160	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CZrN)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CZrN)(CH3)	117.9945	4.243	2	117.9945	18.006	2	115.6830	13.160	4	115.6830	13.160	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(H)	111.1150	0.000	1	111.1150	0.000	1	111.5683	4.326	20	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(H)	112.1947	3.039	6	112.1947	9.237	6	111.5683	4.326	20	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	113.8440	0.000	1	113.8440	0.000	1	111.5683	4.326	20	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(H)	111.1671	1.599	10	111.1671	2.556	10	111.5683	4.326	20	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)2(H)	110.7840	1.558	2	110.7840	2.429	2	111.5683	4.326	20	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PC[6a]2B)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PC[6a]2B)(CCHH)(H)	110.3020	0.000	1	110.3020	0.000	1	111.9048	3.484	5	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PC[6a]2Se)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PC[6a]2Se)(CCHH)(H)	111.2560	2.348	2	111.2560	5.511	2	111.9048	3.484	5	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PRuCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PRuCC)(CCHH)(H)	113.3550	0.898	2	113.3550	0.806	2	111.9048	3.484	5	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(H)	108.9550	0.000	1	108.9550	0.000	1	111.0430	8.719	2	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NHH)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NHH)(H)2	N(SC[6a]OO)(CCHH)(H)	113.1310	0.000	1	113.1310	0.000	1	111.0430	8.719	2	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:	C(CHHS)(NHP)(H)2	C(CHHN)(SNiC)(H)2	N(PNiCC)(CCHH)(H)	C(CHHS)(NHP)(H)2	C(CHHN)(SNiC)(H)2	N(PNiCC)(CCHH)(H)	112.5050	0.000	1	112.5050	0.000	1	112.6960	0.150	5	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:	C(CHHS)(NHP)(H)2	C(CHHN)(SPdC)(H)2	N(PPdCC)(CCHH)(H)	C(CHHS)(NHP)(H)2	C(CHHN)(SPdC)(H)2	N(PPdCC)(CCHH)(H)	112.7438	0.430	4	112.7438	0.185	4	112.6960	0.150	5	111.7643	3.603	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:	C(CHHN)(NCN)(H)2	C(CHHN)(NCN)(H)2	N(CCHH)(CH3)(NO)	C(CHHN)(NCN)(H)2	C(CHHN)(NCN)(H)2	N(CCHH)(CH3)(NO)	111.8440	0.000	1	111.8440	0.000	1	111.6160	0.104	2	111.6160	0.104	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:	C(CHHN)(NCN)(H)2	C(CHHN)(NCN)(H)2	N(CC[6a]HH)(CCHH)(NO)	C(CHHN)(NCN)(H)2	C(CHHN)(NCN)(H)2	N(CC[6a]HH)(CCHH)(NO)	111.3880	0.000	1	111.3880	0.000	1	111.6160	0.104	2	111.6160	0.104	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CH3)(COO)	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CH3)(COO)	113.2810	0.000	1	113.2810	0.000	1	113.3233	2.203	7	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)2(COO)	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)2(COO)	111.8200	0.000	1	111.8200	0.000	1	113.3233	2.203	7	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CCO)(H)2	N(CCHH)2(COO)	C(CCHH)(NCC)(H)2	C(CHHN)(CCO)(H)2	N(CCHH)2(COO)	114.6110	0.000	1	114.6110	0.000	1	113.3233	2.203	7	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(CCO)	111.4520	0.000	1	111.4520	0.000	1	113.3233	2.203	7	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CCO)	114.3145	1.952	2	114.3145	3.812	2	113.3233	2.203	7	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]2H)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]2H)(CCHH)(CCO)	113.4700	0.000	1	113.4700	0.000	1	113.3233	2.203	7	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)(CSS)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)(CSS)	113.2090	0.000	1	113.2090	0.000	1	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(CCO)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(CCO)	111.3410	0.000	1	111.3410	0.000	1	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(CSS)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(CSS)	112.1133	0.352	3	112.1133	0.124	3	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CCH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CCH)	110.4622	1.332	4	110.4622	1.775	4	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CCO)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CCO)	111.4638	0.891	4	111.4638	0.793	4	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CSS)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CSS)	111.9820	0.259	2	111.9820	0.067	2	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	111.7417	1.055	6	111.7417	1.113	6	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CNS)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CNS)	115.1790	0.000	1	115.1790	0.000	1	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CSS)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CSS)	111.6165	0.197	2	111.6165	0.039	2	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CNO)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CNO)	112.7575	0.050	2	112.7575	0.003	2	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(COO)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(COO)	115.0105	0.740	2	115.0105	0.548	2	112.0341	2.102	28	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-3:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PNN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PNN)	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-3:	C(CHHN)(NCS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CHHN)(NCS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)(CCH)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	112.3423	2.930	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCP)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCP)(H)2	N(CCHH)3	113.6135	2.010	33	113.6135	4.038	33	114.5511	3.270	95	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCoC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCoC)(H)2	N(CCHH)3	114.8130	1.811	12	114.8130	3.281	12	114.5511	3.270	95	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCCH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCCH)2(CCHH)	114.8160	0.000	1	114.8160	0.000	1	114.5511	3.270	95	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3	115.2262	1.386	46	115.2262	1.921	46	114.5511	3.270	95	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)3	113.3777	0.549	3	113.3777	0.301	3	114.5511	3.270	95	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(PN3)	112.8996	0.623	10	112.8996	0.388	10	111.0622	19.847	43	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PHNN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PHNN)	105.9178	0.365	14	105.9178	0.133	14	111.0622	19.847	43	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PINN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PINN)	107.7040	0.000	1	107.7040	0.000	1	111.0622	19.847	43	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PN3)	115.8153	0.642	15	115.8153	0.412	15	111.0622	19.847	43	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PHNN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PHNN)	106.2980	0.185	3	106.2980	0.034	3	111.0622	19.847	43	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PHNN)(CH3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PHNN)(CH3)	106.5210	0.000	1	106.5210	0.000	1	113.2229	12.967	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PNNO)(CH3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PNNO)(CH3)	107.7880	0.000	1	107.7880	0.000	1	113.2229	12.967	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PCoNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PCoNN)(CCHH)	112.1980	0.000	1	112.1980	0.000	1	113.2229	12.967	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PNiNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PNiNN)(CCHH)	113.8180	2.558	2	113.8180	6.545	2	113.2229	12.967	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PCoNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PCoNN)(CCHH)	115.0180	0.000	1	115.0180	0.000	1	113.2229	12.967	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PNiNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PNiNN)(CCHH)	115.7670	1.269	4	115.7670	1.610	4	113.2229	12.967	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	113.8200	2.321	2	113.8200	5.386	2	113.8200	5.386	2	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(PNiNN)(CCCH)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(PNiNN)(CCCH)(CCHH)	114.5033	0.734	3	114.5033	0.539	3	115.3145	3.325	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(PNiNN)(CCHH)(CH3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(PNiNN)(CCHH)(CH3)	116.4205	0.612	6	116.4205	0.374	6	115.3145	3.325	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(PNiCC)(CCHH)(CH3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(PNiCC)(CCHH)(CH3)	111.1120	0.000	1	111.1120	0.000	1	115.3145	3.325	10	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	114.1785	0.203	2	114.1785	0.041	2	113.5302	0.284	6	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCHH)2	113.2060	0.198	4	113.2060	0.039	4	113.5302	0.284	6	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:Si-4:	C(CHHN)(NSi2)(H)2	C(CHHN)(NCC)(H)2	N(SiC[6a]NN)(CCHH)(SiC3)	C(CHHN)(NSi2)(H)2	C(CHHN)(NCC)(H)2	N(SiC[6a]NN)(CCHH)(SiC3)	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	113.5573	10.186	167	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:3:3:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:C-3:H-1:	C(CN3)(NCH)(H)2	C(CHHN)(NOO)3	N(CCHH)(CNO)(H)	C(CN3)(NCH)(H)2	C(CHHN)(NOO)3	N(CCHH)(CNO)(H)	111.4270	1.083	2	111.4270	1.174	2	111.4270	1.174	2	111.4270	1.174	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(NOO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]CH)(NOO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	N(CCHH)(O)2	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	N(CCHH)(O)2	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.0865	2.563	2	111.0865	6.570	2	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	109.8097	2.270	3	109.8097	5.153	3	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.1740	0.346	3	111.1740	0.120	3	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.6610	0.000	1	111.6610	0.000	1	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	108.3770	0.000	1	108.3770	0.000	1	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	110.6463	0.778	3	110.6463	0.605	3	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	108.9207	1.751	3	108.9207	3.065	3	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	110.7995	2.104	2	110.7995	4.425	2	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.4028	1.749	5	111.4028	3.060	5	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	110.4130	1.866	5	110.4130	3.483	5	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	110.2890	0.000	1	110.2890	0.000	1	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.9460	0.000	1	111.9460	0.000	1	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	110.5580	0.000	1	110.5580	0.000	1	110.5592	2.609	31	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]N[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[5]N[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	N(CCHH)(O)2	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	N(CCHH)(O)2	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	N(CCHH)(O)2	112.2240	0.000	1	112.2240	0.000	1	112.4895	0.141	2	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	N(CCHH)(O)2	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	N(CCHH)(O)2	112.7550	0.000	1	112.7550	0.000	1	112.4895	0.141	2	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.9180	0.000	1	111.9180	0.000	1	110.7967	2.061	9	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	111.0298	1.463	6	111.0298	2.140	6	110.7967	2.061	9	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)2	109.5365	1.012	2	109.5365	1.024	2	110.7967	2.061	9	110.6052	2.657	45	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:3:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	S-4:C-4:H-1:	C(CC[6a]C[5]C)(NHS)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]C[5]C)(NHS)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	N(SC[6a]OO)(CCHH)(H)	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]O)2(CCHH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]O)2(CCHH)	112.5265	1.312	8	112.5265	1.721	8	112.5603	1.369	10	112.5603	1.369	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]O)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]O)2(CCHH)	113.0350	0.000	1	113.0350	0.000	1	112.5603	1.369	10	112.5603	1.369	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6]O)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6]O)2(CCHH)	112.3560	0.000	1	112.3560	0.000	1	112.5603	1.369	10	112.5603	1.369	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-3:C-4:H-1:	C(CBrCH)(NCH)(H)2	C(CClCH)(CHHN)(Br)(H)	N(CC[6a]O)(CCHH)(H)	C(CBrCH)(NCH)(H)2	C(CClCH)(CHHN)(Br)(H)	N(CC[6a]O)(CCHH)(H)	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-3:C-4:H-1:	C(CClCH)(NCH)(H)2	C(CCHN)(CHHN)(Cl)(H)	N(CC[6a]O)(CCHH)(H)	C(CClCH)(NCH)(H)2	C(CCHN)(CHHN)(Cl)(H)	N(CC[6a]O)(CCHH)(H)	112.7663	1.556	3	112.7663	2.421	3	112.3475	2.315	4	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-3:C-4:H-1:	C(CClCH)(NCH)(H)2	C(CClCH)(CHHN)(Cl)(H)	N(CC[6a]O)(CCHH)(H)	C(CClCH)(NCH)(H)2	C(CClCH)(CHHN)(Cl)(H)	N(CC[6a]O)(CCHH)(H)	111.0910	0.000	1	111.0910	0.000	1	112.3475	2.315	4	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[4]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[4]O)(CCHH)(H)	113.3020	0.000	1	113.3020	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]C)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]C)(CCHH)(H)	111.3810	0.000	1	111.3810	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]H)(CCHH)(H)	112.0875	3.615	2	112.0875	13.071	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	113.1005	0.187	2	113.1005	0.035	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]C[5])(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]C[5])(CCHH)(H)	111.1950	0.000	1	111.1950	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]C[6])(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]C[6])(CCHH)(H)	113.1600	0.000	1	113.1600	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]H)(CCHH)(H)	113.7965	2.355	2	113.7965	5.548	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	111.8016	1.313	13	111.8016	1.725	13	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	112.5830	0.000	1	112.5830	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	112.3517	0.909	4	112.3517	0.827	4	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	112.5743	2.106	18	112.5743	4.436	18	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]S)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]S)(CCHH)(H)	112.6190	1.151	2	112.6190	1.325	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]C[5])(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]C[5])(CCHH)(H)	109.0820	0.000	1	109.0820	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	113.4275	1.486	2	113.4275	2.207	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.3354	1.040	72	112.3354	1.082	72	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]S)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]S)(CCHH)(H)	113.1440	0.000	1	113.1440	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CN[5]Se)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CN[5]Se)(CCHH)(H)	113.8220	0.000	1	113.8220	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CN[6a]N)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CN[6a]N)(CCHH)(H)	112.3300	0.178	2	112.3300	0.032	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[5a]2H)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CC[5a]2H)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	113.7120	0.000	1	113.7120	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	110.4805	1.925	2	110.4805	3.707	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[5]Rh)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[5]Rh)(CCHH)(H)	112.5515	0.179	2	112.5515	0.032	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]C)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]C)(CCHH)(H)	108.9220	0.000	1	108.9220	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]O)(CCHH)(H)	111.4707	1.591	6	111.4707	2.532	6	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6]O)(CCHH)(H)	113.4335	0.701	2	113.4335	0.491	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]C[5])(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]C[5])(CCHH)(H)	110.2890	0.000	1	110.2890	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]H)(CCHH)(H)	130.7020	0.000	1	130.7020	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]O)(CCHH)(H)	110.5685	1.393	6	110.5685	1.941	6	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CC[5]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CC[5]O)(CCHH)(H)	113.1000	0.000	1	113.1000	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CFeSi)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CFeSi)(CCHH)(H)	112.1210	0.000	1	112.1210	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5]H)(CCHH)(H)	110.9330	0.000	1	110.9330	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5a]O)(CCHH)(H)	114.4990	0.000	1	114.4990	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6]H)(CCHH)(H)	111.2057	1.446	6	111.2057	2.091	6	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6]O)(CCHH)(H)	110.4040	0.000	1	110.4040	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]H)(CCHH)(H)	111.3581	1.206	9	111.3581	1.455	9	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]N)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]N)(CCHH)(H)	110.0810	0.000	1	110.0810	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]O)(CCHH)(H)	112.5909	1.281	22	112.5909	1.640	22	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]S)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]S)(CCHH)(H)	114.0205	0.859	2	114.0205	0.738	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CC[5a]O)(CCHH)(H)	110.9320	0.141	3	110.9320	0.020	3	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[5a]C[6])(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[5a]C[6])(CCHH)(H)	112.1790	0.000	1	112.1790	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[6]H)(CCHH)(H)	113.7210	0.000	1	113.7210	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	110.3240	0.000	1	110.3240	0.000	1	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	113.5145	0.491	2	113.5145	0.242	2	112.2781	3.747	202	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CC[5]O)(CCHH)(H)	115.0975	0.469	2	115.0975	0.220	2	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CC[5a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CC[5a]O)(CCHH)(H)	111.0915	4.950	2	111.0915	24.507	2	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]O)(CCHH)(H)	111.1340	4.419	4	111.1340	19.528	4	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[5a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[5a]O)(CCHH)(H)	114.0865	0.039	2	114.0865	0.002	2	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]O)(CCHH)(H)	113.5474	1.883	53	113.5474	3.547	53	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]C)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]C)(CCHH)(H)	114.0650	0.156	2	114.0650	0.024	2	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]H)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]H)(CCHH)(H)	111.6430	0.000	1	111.6430	0.000	1	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]O)(CCHH)(H)	114.5710	0.000	1	114.5710	0.000	1	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]O)(CCHH)(H)	113.7520	0.000	1	113.7520	0.000	1	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CC[5]O)(CCHH)(H)	113.3383	1.779	4	113.3383	3.166	4	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CC[6]O)(CCHH)(H)	112.0775	0.466	2	112.0775	0.217	2	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CC[6a]O)(CCHH)(H)	113.5435	0.606	4	113.5435	0.367	4	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHHW)(H)2	N(CC[5a]W)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHHW)(H)2	N(CC[5a]W)(CCHH)(H)	111.7740	0.000	1	111.7740	0.000	1	113.3500	4.220	79	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SO3)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SO3)(H)2	N(CC[5]O)(CCHH)(H)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.5260	0.000	1	112.5260	0.000	1	111.9010	0.781	2	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]2Fe)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]2Fe)(CHHN)(H)2	N(CC[6a]N)(CCHH)(H)	111.2760	0.000	1	111.2760	0.000	1	111.9010	0.781	2	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHN)(H)2	N(CC[3]O)(CCHH)(H)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHN)(H)2	N(CC[3]O)(CCHH)(H)	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NCoCC)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NCoCC)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	110.0040	0.000	1	110.0040	0.000	1	111.9470	7.283	4	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NFeCH)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NFeCH)(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	109.6770	0.000	1	109.6770	0.000	1	111.9470	7.283	4	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NMnCC)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NMnCC)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.6310	0.000	1	112.6310	0.000	1	111.9470	7.283	4	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NPdCC)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NPdCC)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	115.4760	0.000	1	115.4760	0.000	1	111.9470	7.283	4	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2Al)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2Al)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHP)(NCH)(H)2	C(PC[6a]2Au)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHP)(NCH)(H)2	C(PC[6a]2Au)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	110.4720	0.000	1	110.4720	0.000	1	112.1211	4.254	28	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHP)(NCH)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	C(CHHP)(NCH)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	N(CC[5]O)(CCHH)(H)	112.2300	1.721	8	112.2300	2.961	8	112.1211	4.254	28	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHP)(NCH)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CHHP)(NCH)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	112.1621	2.252	19	112.1621	5.071	19	112.1211	4.254	28	112.5096	4.127	323	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]C)(CCHH)(CCH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]C)(CCHH)(CCH)	110.6340	0.000	1	110.6340	0.000	1	112.3290	2.160	3	113.4047	4.381	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)(CCO)	113.1765	0.107	2	113.1765	0.011	2	112.3290	2.160	3	113.4047	4.381	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[5]HH)(NC[6a]C)(H)2	C(C[5]C[5]N[5]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CNO)	C(CC[5]HH)(NC[6a]C)(H)2	C(C[5]C[5]N[5]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CNO)	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	113.4047	4.381	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C[6a]-3:C-4:C-3:	C(CC[5]HI)(NC[6a]C)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	N(C[6a]C[6a]2)(CCHH)(COO)	C(CC[5]HI)(NC[6a]C)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	N(C[6a]C[6a]2)(CCHH)(COO)	115.3010	2.570	2	115.3010	6.603	2	115.3010	6.603	2	113.4047	4.381	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]O)(CCHH)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]O)(CCHH)2	114.1730	0.000	1	114.1730	0.000	1	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)2	113.2350	1.042	2	113.2350	1.086	2	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(CC[6a]O)(CCCH)(CCHH)	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(CC[6a]O)(CCCH)(CCHH)	114.0230	0.000	1	114.0230	0.000	1	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[4,6]O)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[4,6]O)(CCHH)2	114.2635	1.593	4	114.2635	2.538	4	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]O)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]O)(CCHH)2	110.5627	2.973	4	110.5627	8.837	4	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]O)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]O)(CCHH)2	113.1725	0.315	4	113.1725	0.100	4	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6]O)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6]O)(CCHH)2	111.9410	0.000	1	111.9410	0.000	1	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]O)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]O)(CCHH)2	114.6915	0.679	4	114.6915	0.461	4	113.2080	4.068	21	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-3:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SO3)(H)2	N(CC[5]O)(CCHH)(CH3)	C(CHHS)(NCC)(H)2	C(CHHN)(SO3)(H)2	N(CC[5]O)(CCHH)(CH3)	112.5210	0.016	2	112.5210	0.000	2	112.5210	0.000	2	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	N(CC[6a]N)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	N(CC[6a]N)(CCHH)(CH3)	114.9853	2.976	3	114.9853	8.854	3	114.9853	8.854	3	113.3602	4.355	26	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	N(CCHH)(H)2	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	112.2213	4.032	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(H)2	112.3130	0.000	1	112.3130	0.000	1	111.7273	2.708	3	112.2213	4.032	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)2	111.4345	2.214	2	111.4345	4.902	2	111.7273	2.708	3	112.2213	4.032	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(NMoHH)(CHHN)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(NMoHH)(CHHN)(H)2	N(CCHH)(H)2	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	112.2213	4.032	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:I-1:I-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NOO)(I)2	C(CC[6a]HH)(CIIN)(H)2	N(CCII)(O)2	C(CCHH)(NOO)(I)2	C(CC[6a]HH)(CIIN)(H)2	N(CCII)(O)2	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	112.2213	4.032	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CBrHH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CBrHH)(CHHN)(H)2	N(CCHH)(CCO)(H)	114.0610	0.000	1	114.0610	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(CCS)(H)	C(CCHH)(NCH)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(CCS)(H)	111.7670	0.000	1	111.7670	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CCHH)(NCH)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(CNS)(H)	110.3990	0.000	1	110.3990	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCC)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCC)(H)	114.8850	0.208	2	114.8850	0.043	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCH)(H)	112.4628	0.546	6	112.4628	0.299	6	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCN)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCN)(H)	112.9093	1.968	20	112.9093	3.872	20	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.5943	1.334	97	112.5943	1.780	97	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCS)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCS)(H)	113.9475	0.155	2	113.9475	0.024	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNN)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNN)(H)	112.2746	2.215	63	112.2746	4.905	63	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNO)(H)	111.6991	1.103	75	111.6991	1.216	75	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNS)(H)	111.4446	1.831	36	111.4446	3.351	36	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(COO)(H)	112.6285	1.277	15	112.6285	1.630	15	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(COS)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(COS)(H)	113.4320	0.000	1	113.4320	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHO)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CCHH)(NCH)(H)2	C(CCHO)(CHHN)(H)2	N(CCHH)(COO)(H)	113.9370	0.000	1	113.9370	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.2680	0.000	1	112.2680	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	111.6140	0.000	1	111.6140	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CNN)(H)	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CNN)(H)	110.4160	0.000	1	110.4160	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CNO)(H)	109.7270	0.000	1	109.7270	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CNP)(H)	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CNP)(H)	111.7810	1.184	2	111.7810	1.401	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CC3)(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CC3)(H)2	N(CCHH)(CNO)(H)	113.6630	0.000	1	113.6630	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CCC)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CCC)(H)	112.9500	0.000	1	112.9500	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CCH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CCH)(H)	111.7435	0.868	2	111.7435	0.753	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CCO)(H)	112.8195	0.535	2	112.8195	0.287	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CIrN)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CIrN)(H)	110.0680	0.000	1	110.0680	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CNO)(H)	113.1938	1.230	37	113.1938	1.513	37	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CNS)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CNS)(H)	110.0895	0.901	6	110.0895	0.812	6	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(COO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(COO)(H)	112.3126	1.064	5	112.3126	1.133	5	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CRuC)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CRuC)(H)	113.4640	0.000	1	113.4640	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CCC)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CCC)(H)	112.8380	0.000	1	112.8380	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CCO)(H)	113.5840	1.328	4	113.5840	1.763	4	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CNO)(H)	113.4655	0.307	4	113.4655	0.094	4	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(CCO)(H)	112.9520	0.000	1	112.9520	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(CFeN)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(CFeN)(H)	116.6820	0.000	1	116.6820	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)(CCO)(H)	110.4385	0.364	4	110.4385	0.133	4	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CCC)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CCC)(H)	109.7715	1.839	2	109.7715	3.383	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CCN)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CCN)(H)	111.4440	0.000	1	111.4440	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CCO)(H)	111.9092	1.563	19	111.9092	2.442	19	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CNN)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CNN)(H)	110.3379	1.058	14	110.3379	1.119	14	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CNO)(H)	112.7468	1.563	5	112.7468	2.444	5	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CNS)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CNS)(H)	111.1057	1.121	3	111.1057	1.257	3	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(COO)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)(COO)(H)	114.0630	0.000	1	114.0630	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.0280	0.000	1	112.0280	0.000	1	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(CCO)(H)	110.9665	0.093	2	110.9665	0.009	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(CNS)(H)	111.8194	1.694	8	111.8194	2.869	8	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	N(CCHH)(COO)(H)	112.0180	0.455	2	112.0180	0.207	2	112.2001	2.753	456	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:I-1:I-1:	C-4:C-3:H-1:	C(CCII)(NCH)(H)2	C(CCHH)(CHHN)(I)2	N(CCHH)(CCO)(H)	C(CCII)(NCH)(H)2	C(CCHH)(CHHN)(I)2	N(CCHH)(CCO)(H)	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(CCO)(H)	114.7540	0.000	1	114.7540	0.000	1	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CCO)(H)	112.8476	3.063	5	112.8476	9.385	5	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CCS)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CCS)(H)	112.0500	0.000	1	112.0500	0.000	1	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CNO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CNO)(H)	112.8696	1.981	11	112.8696	3.926	11	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCO)(H)2	N(CCHH)(CCO)(H)	110.1290	0.000	1	110.1290	0.000	1	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CCO)(H)	113.0220	0.651	11	113.0220	0.424	11	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CCN)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CCN)(H)	111.5830	0.000	1	111.5830	0.000	1	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CCO)(H)	113.5710	1.267	6	113.5710	1.606	6	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(COO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(COO)(H)	112.6555	2.797	2	112.6555	7.821	2	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CSS)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CSS)(H)	113.3820	0.000	1	113.3820	0.000	1	112.9420	2.914	40	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SO3)(H)2	N(CCHH)(CCO)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SO3)(H)2	N(CCHH)(CCO)(H)	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5,6]HH)(NCH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CCHH)(COO)(H)	C(CC[5,6]HH)(NCH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CCHH)(COO)(H)	110.6410	0.110	2	110.6410	0.012	2	110.6410	0.012	2	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	N(CCHH)(COO)(H)	114.7540	0.000	1	114.7540	0.000	1	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	N(CCHH)(CCO)(H)	115.4390	0.000	1	115.4390	0.000	1	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	N(CCHH)(CCO)(H)	114.1500	0.000	1	114.1500	0.000	1	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	N(CCHH)(CHO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	N(CCHH)(CHO)(H)	110.1700	0.000	1	110.1700	0.000	1	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(CCHH)(COO)(H)	110.4000	0.000	1	110.4000	0.000	1	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	N(CCHH)(CCO)(H)	110.9805	2.866	2	110.9805	8.213	2	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	N(CCHH)(CHO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	N(CCHH)(CHO)(H)	113.3950	0.000	1	113.3950	0.000	1	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	N(CCHH)(CHO)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	N(CCHH)(CHO)(H)	111.2890	0.000	1	111.2890	0.000	1	112.3953	5.160	9	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-1:	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(CCHH)(CCC)(O)	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(CCHH)(CCC)(O)	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NCuCH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(NCuCH)(CHHN)(H)2	N(CCHH)(CCO)(H)	112.7890	0.000	1	112.7890	0.000	1	113.5228	1.751	5	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NMnCC)(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CHHN)(NCH)(H)2	C(NMnCC)(CHHN)(H)2	N(CCHH)(CNO)(H)	112.0590	0.000	1	112.0590	0.000	1	113.5228	1.751	5	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NZnCC)(CHHN)(H)2	N(CCHH)(CNN)(H)	C(CHHN)(NCH)(H)2	C(NZnCC)(CHHN)(H)2	N(CCHH)(CNN)(H)	115.4650	0.000	1	115.4650	0.000	1	113.5228	1.751	5	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NZnCC)(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CHHN)(NCH)(H)2	C(NZnCC)(CHHN)(H)2	N(CCHH)(CNO)(H)	114.1590	0.000	1	114.1590	0.000	1	113.5228	1.751	5	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(NZnCH)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(H)2	C(NZnCH)(CHHN)(H)2	N(CCHH)(CCO)(H)	113.1420	0.000	1	113.1420	0.000	1	113.5228	1.751	5	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N(CCHH)(CNS)(H)	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CSiHH)(NCH)(H)2	C(SiC[6a]CC)(CHHN)(H)2	N(CCHH)(CCO)(H)	C(CSiHH)(NCH)(H)2	C(SiC[6a]CC)(CHHN)(H)2	N(CCHH)(CCO)(H)	113.8175	0.763	2	113.8175	0.582	2	113.8175	0.582	2	112.2655	2.834	519	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:2:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)(OFe)	C(CCHH)(NCO)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)(OFe)	111.6697	0.961	6	111.6697	0.924	6	111.6697	0.924	6	111.6697	0.924	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCH)(CCO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCH)(CCO)	113.6085	0.432	2	113.6085	0.187	2	113.3805	1.806	15	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCN)(CNN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCN)(CNN)	114.0830	2.229	2	114.0830	4.968	2	113.3805	1.806	15	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)(COO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)(COO)	112.4020	0.000	1	112.4020	0.000	1	113.3805	1.806	15	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)2	112.9289	0.522	7	112.9289	0.272	7	113.3805	1.806	15	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNN)(COO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNN)(COO)	112.3800	0.000	1	112.3800	0.000	1	113.3805	1.806	15	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	N(CCHH)(CCH)(CCO)	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	N(CCHH)(CCH)(CCO)	112.9420	0.000	1	112.9420	0.000	1	113.3805	1.806	15	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CNN)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CNN)2	117.0990	0.000	1	117.0990	0.000	1	113.3805	1.806	15	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(NFeC)(CHO)	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(NFeC)(CHO)	116.8370	7.720	2	116.8370	59.601	2	116.8370	59.601	2	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	N(CCHH)(CCC)(CCO)	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	N(CCHH)(CCC)(CCO)	113.5880	0.000	1	113.5880	0.000	1	113.5880	0.000	1	113.7761	6.236	18	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	B-4:C-3:C-4:	C(CCHH)(NBC)(H)2	C(CCHH)(CHHN)(H)2	N(BC[6a]3)(CC[6a]H)(CCHH)	C(CCHH)(NBC)(H)2	C(CCHH)(CHHN)(H)2	N(BC[6a]3)(CC[6a]H)(CCHH)	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CC[6]O)(CCHH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CC[6]O)(CCHH)	115.4750	0.000	1	115.4750	0.000	1	113.8165	2.835	6	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCHH)	112.6895	2.174	2	112.6895	4.728	2	113.8165	2.835	6	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CZrN)(CH3)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CZrN)(CH3)	114.8215	0.366	2	114.8215	0.134	2	113.8165	2.835	6	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CC[3]O)(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CC[3]O)(CCHH)	112.4020	0.000	1	112.4020	0.000	1	113.8165	2.835	6	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-3:C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CC[6]C)(CCHH)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CC[6]C)(CCHH)	112.1700	0.000	1	112.1700	0.000	1	112.0960	0.138	3	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-3:C-4:	C(CCHH)(NCS)(H)2	C(CC[3]HH)(CHHN)(H)2	N(SC[6a]OO)(CC[3]O)(CCHH)	C(CCHH)(NCS)(H)2	C(CC[3]HH)(CHHN)(H)2	N(SC[6a]OO)(CC[3]O)(CCHH)	112.4250	0.000	1	112.4250	0.000	1	112.0960	0.138	3	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-3:C-4:	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	N(SC[6a]OO)(CC[5]H)(CCHH)	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	N(SC[6a]OO)(CC[5]H)(CCHH)	111.6930	0.000	1	111.6930	0.000	1	112.0960	0.138	3	113.2808	2.278	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(H)	112.4785	0.148	2	112.4785	0.022	2	112.6104	1.061	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	111.6820	0.000	1	111.6820	0.000	1	112.6104	1.061	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(H)	115.0200	0.000	1	115.0200	0.000	1	112.6104	1.061	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CClHH)(CHHN)(H)2	N(CErNO)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CClHH)(CHHN)(H)2	N(CErNO)(CCHH)(H)	112.5810	0.000	1	112.5810	0.000	1	112.6104	1.061	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(H)	112.3135	0.686	4	112.3135	0.470	4	112.6104	1.061	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(SCOO)(H)	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(SCOO)(H)	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CCHH)(NHP)(H)2	C(CHHN)(CH3)(H)2	N(PN[6]NN)(CCHH)(H)	C(CCHH)(NHP)(H)2	C(CHHN)(CH3)(H)2	N(PN[6]NN)(CCHH)(H)	111.9360	0.000	1	111.9360	0.000	1	112.6175	0.929	2	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CCHH)(NHP)(H)2	C(CHHN)2(H)2	N(PNiCC)(CCHH)(H)	C(CCHH)(NHP)(H)2	C(CHHN)2(H)2	N(PNiCC)(CCHH)(H)	113.2990	0.000	1	113.2990	0.000	1	112.6175	0.929	2	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[5]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[5]OO)(CCHH)(H)	109.3890	1.842	3	109.3890	3.393	3	111.1884	5.870	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[5]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[5]OO)(CCHH)(H)	109.9120	0.000	1	109.9120	0.000	1	111.1884	5.870	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)(CCHH)(H)	114.6780	0.000	1	114.6780	0.000	1	111.1884	5.870	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)(H)	111.8957	2.648	3	111.8957	7.012	3	111.1884	5.870	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	112.2520	0.000	1	112.2520	0.000	1	111.1884	5.870	9	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(H)	112.8730	0.051	2	112.8730	0.003	2	111.1977	1.568	8	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)	110.4760	1.513	2	110.4760	2.290	2	111.1977	1.568	8	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)2(H)	110.7210	0.611	4	110.7210	0.374	4	111.1977	1.568	8	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NIrHH)(CHHN)(H)2	N(CC[6a]3)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NIrHH)(CHHN)(H)2	N(CC[6a]3)(CCHH)(H)	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NNiCH)(CHHN)(H)2	N(PNiCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NNiCH)(CHHN)(H)2	N(PNiCC)(CCHH)(H)	113.7648	0.720	6	113.7648	0.519	6	114.6188	2.130	22	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NPdCH)(CHHN)(H)2	N(PPdCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NPdCH)(CHHN)(H)2	N(PPdCC)(CCHH)(H)	115.0610	0.933	3	115.0610	0.871	3	114.6188	2.130	22	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NPtCH)(CHHN)(H)2	N(PPtCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NPtCH)(CHHN)(H)2	N(PPtCC)(CCHH)(H)	115.3450	0.000	1	115.3450	0.000	1	114.6188	2.130	22	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	N(PRuCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	N(PRuCC)(CCHH)(H)	114.8748	1.761	12	114.8748	3.101	12	114.6188	2.130	22	112.9642	4.509	52	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CN)	112.0815	1.135	2	112.0815	1.288	2	112.0815	1.288	2	113.9016	2.993	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(NC)	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(NC)	113.1685	0.301	2	113.1685	0.090	2	113.1685	0.090	2	113.9016	2.993	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-2:	C(CHHN)(NCN)(H)2	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)(NO)	C(CHHN)(NCN)(H)2	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)(NO)	115.6037	0.309	3	115.6037	0.095	3	115.6037	0.095	3	113.9016	2.993	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CBHH)(CHHN)(H)2	N(CCHH)(CC3)(CCH)	C(CCHH)(NCC)(H)2	C(CBHH)(CHHN)(H)2	N(CCHH)(CC3)(CCH)	111.5010	0.000	1	111.5010	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)2(CCO)	115.0758	0.983	5	115.0758	0.965	5	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)2(COO)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)2(COO)	112.8285	0.747	2	112.8285	0.559	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)2(CSS)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)2(CSS)	111.1540	0.000	1	111.1540	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CC[5]HH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CC[5]HH)(CCHH)(CCO)	114.5380	0.000	1	114.5380	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CC[6]CH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CC[6]CH)(CCHH)(CCO)	115.4610	0.252	2	115.4610	0.063	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	114.6000	0.754	3	114.6000	0.569	3	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCCO)(CHHN)(H)2	N(CCHH)(CH3)(CCO)	C(CCHH)(NCC)(H)2	C(CCCO)(CHHN)(H)2	N(CCHH)(CH3)(CCO)	114.0630	0.000	1	114.0630	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)(CCHH)(CCO)	113.8903	1.294	3	113.8903	1.675	3	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)(CCHH)(CHN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)(CCHH)(CHN)	112.6385	1.278	4	112.6385	1.634	4	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(CCC)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(CCC)	112.7250	0.000	1	112.7250	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(CCO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(CCO)	113.6690	1.396	2	113.6690	1.948	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(CSS)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(CSS)	112.6575	0.199	2	112.6575	0.039	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CCO)	113.7328	0.983	5	113.7328	0.966	5	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CFeN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CFeN)	114.2665	0.907	2	114.2665	0.823	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CIrN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CIrN)	115.7530	0.052	2	115.7530	0.003	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CNS)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CNS)	113.6046	1.323	30	113.6046	1.750	30	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(COO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(COO)	114.7735	1.319	2	114.7735	1.739	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CSS)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CSS)	112.4334	2.319	22	112.4334	5.378	22	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CSeN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CSeN)	113.1728	1.703	8	113.1728	2.900	8	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]HH)(CCHH)(COO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]HH)(CCHH)(COO)	112.0790	0.000	1	112.0790	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCO)	113.1900	0.020	2	113.1900	0.000	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CHN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CHN)	116.2730	0.000	1	116.2730	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CSS)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CSS)	113.2717	0.725	3	113.2717	0.525	3	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CPdHO)(CCHH)(CPdC)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CPdHO)(CCHH)(CPdC)	110.8700	0.000	1	110.8700	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	N(CCHH)2(CCO)	113.3790	0.000	1	113.3790	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(CHH)	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(CHH)	111.2730	0.000	1	111.2730	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(COO)	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(COO)	110.7690	0.000	1	110.7690	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)2(COO)	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)2(COO)	117.4200	0.000	1	117.4200	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CC[5]CH)(CCHH)(COO)	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CC[5]CH)(CCHH)(COO)	115.6605	1.231	2	115.6605	1.516	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(CC[6]HH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(CC[6]HH)(CCHH)(CCO)	115.2110	0.000	1	115.2110	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	N(CCHH)2(CCO)	114.1440	0.000	1	114.1440	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	N(CErNO)(CCHH)(CNO)	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	N(CErNO)(CCHH)(CNO)	113.2090	1.834	2	113.2090	3.364	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CCO)	113.5405	1.716	2	113.5405	2.945	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CIrN)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CIrN)	114.3840	0.310	2	114.3840	0.096	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CNN)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CNN)	112.6672	1.513	4	112.6672	2.289	4	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CNO)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CNO)	113.1375	0.706	4	113.1375	0.498	4	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CNS)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CNS)	111.6575	2.271	8	111.6575	5.159	8	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CSS)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CSS)	112.6425	0.879	22	112.6425	0.772	22	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)(CCO)	111.6200	0.017	2	111.6200	0.000	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)2(CCO)	113.0885	0.302	2	113.0885	0.091	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCCH)(CCHH)(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCCH)(CCHH)(CCO)	114.3290	0.000	1	114.3290	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(CCS)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(CCS)	110.9940	0.266	2	110.9940	0.071	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(CNN)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(CNN)	112.1570	0.590	3	112.1570	0.348	3	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(CNO)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(CNO)	112.4615	0.863	2	112.4615	0.745	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(COO)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(COO)	113.1060	0.222	2	113.1060	0.049	2	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CHHO)(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CHHO)(CCO)	113.6510	0.000	1	113.6510	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCH)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCH)	112.9833	0.140	3	112.9833	0.020	3	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCO)	112.9195	1.328	6	112.9195	1.763	6	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCS)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCS)	112.3998	0.763	6	112.3998	0.583	6	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CNN)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CNN)	112.5160	0.000	1	112.5160	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(COO)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(COO)	112.7167	1.214	4	112.7167	1.474	4	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(CNN)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(CNN)	110.5500	0.000	1	110.5500	0.000	1	113.1155	2.596	195	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:C-3:	C(CCHH)(NSiC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(SiN3)(CCO)	C(CCHH)(NSiC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(SiN3)(CCO)	115.0293	0.648	4	115.0293	0.420	4	115.0293	0.420	4	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCC)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCC)	113.1450	0.000	1	113.1450	0.000	1	114.8392	5.558	5	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	112.1610	0.000	1	112.1610	0.000	1	114.8392	5.558	5	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCO)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCO)	116.2967	1.705	3	116.2967	2.908	3	114.8392	5.558	5	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CCO)	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CCO)	111.5494	0.382	5	111.5494	0.146	5	111.7930	0.473	6	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CCH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CCH)	113.0110	0.000	1	113.0110	0.000	1	111.7930	0.473	6	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CC[3,6]HH)(NCS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[3,6]HH)(NCS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5,5]HH)(NCC)(H)2	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	N(CCHH)(CH3)(COO)	C(CC[5,5]HH)(NCC)(H)2	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	N(CCHH)(CH3)(COO)	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CC[6a]CH)(CCHH)(COO)	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CC[6a]CH)(CCHH)(COO)	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CCO)	114.7480	0.000	1	114.7480	0.000	1	113.7080	2.163	2	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(H)2	N(CC[5,5]HH)(CCHH)(COO)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(H)2	N(CC[5,5]HH)(CCHH)(COO)	112.6680	0.000	1	112.6680	0.000	1	113.7080	2.163	2	113.1587	2.730	215	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:	C(CCHH)(NCP)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(PN3)	C(CCHH)(NCP)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(PN3)	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:P-4:C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	N(PC[6a]2Cr)2(CCHH)	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	N(PC[6a]2Cr)2(CCHH)	116.5280	0.000	1	116.5280	0.000	1	116.5280	0.000	1	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.7760	0.000	1	113.7760	0.000	1	113.4378	3.480	6	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCCH)(CCHH)	116.5000	0.000	1	116.5000	0.000	1	113.4378	3.480	6	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)2	112.5417	1.580	3	112.5417	2.497	3	113.4378	3.480	6	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CC[3]HH)(CCHH)	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CC[3]HH)(CCHH)	112.7260	0.000	1	112.7260	0.000	1	113.4378	3.480	6	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:S-4:C-4:	C(CCHH)(NSS)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	C(CCHH)(NSS)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	113.0630	0.000	1	113.0630	0.000	1	112.3005	1.163	2	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:S-4:C-4:	C(CCHH)(NSS)(H)2	C(CC[6a]HN)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	C(CCHH)(NSS)(H)2	C(CC[6a]HN)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	111.5380	0.000	1	111.5380	0.000	1	112.3005	1.163	2	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:C-4:	C(CCHH)(NSiC)(H)2	C(CHHN)2(H)2	N(SiC[5]CC)(CCHH)(CH3)	C(CCHH)(NSiC)(H)2	C(CHHN)2(H)2	N(SiC[5]CC)(CCHH)(CH3)	114.0690	0.000	1	114.0690	0.000	1	114.0690	0.000	1	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:C-4:S-4:	C(CCHI)(NCS)(H)2	C(CHHN)2(H)(I)	N(CCHH)2(SCOO)	C(CCHI)(NCS)(H)2	C(CHHN)2(H)(I)	N(CCHH)2(SCOO)	113.2756	0.428	8	113.2756	0.183	8	113.2756	0.183	8	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)	111.9720	1.283	2	111.9720	1.645	2	111.9720	1.645	2	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	115.4290	0.000	1	115.4290	0.000	1	115.4290	0.000	1	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-4:S-4:C-4:	C(CC[5]HH)(NC[6]S)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	C(CC[5]HH)(NC[6]S)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	112.3095	0.043	2	112.3095	0.002	2	112.3095	0.002	2	113.1698	2.083	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:1:1:	5:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-5:C-4:H-1:	C(CCHH)(NHP)(H)2	C(CHHN)(CH3)(H)2	N(PMnN3)(CCHH)(H)	C(CCHH)(NHP)(H)2	C(CHHN)(CH3)(H)2	N(PMnN3)(CCHH)(H)	111.5255	0.441	2	111.5255	0.194	2	111.5255	0.194	2	111.5255	0.194	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CC[6a]O)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CC[6a]O)(CCHH)(H)	113.3123	1.539	4	113.3123	2.370	4	111.8784	4.301	8	111.8784	4.301	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CC[6]H)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CC[6]H)(CCHH)(H)	110.6777	1.717	3	110.6777	2.948	3	111.8784	4.301	8	111.8784	4.301	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CC[6a]O)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CC[6a]O)(CCHH)(H)	109.7450	0.000	1	109.7450	0.000	1	111.8784	4.301	8	111.8784	4.301	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-3:	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OC)(H)	N(CC[6a]C)(CCHH)(CCO)	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OC)(H)	N(CC[6a]C)(CCHH)(CCO)	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:O-1:O-1:	C(CCHS)(NOO)(H)2	C(CCHO)(CHHN)(SC)(H)	N(CCHH)(O)2	C(CCHS)(NOO)(H)2	C(CCHO)(CHHN)(SC)(H)	N(CCHH)(O)2	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	111.1020	2.689	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-2:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	N(CCHH)(O)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	N(CCHH)(O)2	112.0060	0.000	1	112.0060	0.000	1	112.0060	0.000	1	111.1020	2.689	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:O-1:O-1:	C(CC[5]HN)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	N(CCHH)(O)2	C(CC[5]HN)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	N(CCHH)(O)2	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	111.1020	2.689	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:O-1:O-1:	C(CC[6]HO)(NOO)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	N(CCHH)(O)2	C(CC[6]HO)(NOO)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	N(CCHH)(O)2	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	111.1020	2.689	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NC)(H)	N(CCHH)(CNO)(H)	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NC)(H)	N(CCHH)(CNO)(H)	113.8950	0.000	1	113.8950	0.000	1	113.8950	0.000	1	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CCHH)(CCO)(H)	113.6007	2.056	3	113.6007	4.226	3	112.5549	3.481	10	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CCO)(H)	114.6620	0.000	1	114.6620	0.000	1	112.5549	3.481	10	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CCS)(H)	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CCS)(H)	109.6320	0.000	1	109.6320	0.000	1	112.5549	3.481	10	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CNS)(H)	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CNS)(H)	110.9615	0.456	2	110.9615	0.208	2	112.5549	3.481	10	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OP)(H)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OP)(H)	N(CCHH)(CCO)(H)	113.2585	0.213	2	113.2585	0.045	2	112.5549	3.481	10	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)(COO)(H)	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)(COO)(H)	112.0130	0.000	1	112.0130	0.000	1	112.5549	3.481	10	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[5]HO)(NCH)(H)2	C(C[5]C[5]2H)(CHHN)(OH)(H)	N(CCHH)(CCO)(H)	C(CC[5]HO)(NCH)(H)2	C(C[5]C[5]2H)(CHHN)(OH)(H)	N(CCHH)(CCO)(H)	112.2230	0.641	2	112.2230	0.410	2	112.2230	0.410	2	112.6069	2.810	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:	C(CCHO)(NCN)(H)2	C(CHHN)(CHHS)(OH)(H)	N(CCHH)(COO)(NCH)	C(CCHO)(NCN)(H)2	C(CHHN)(CHHS)(OH)(H)	N(CCHH)(COO)(NCH)	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(H)	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(H)	110.6680	0.655	2	110.6680	0.429	2	110.6680	0.429	2	110.6680	0.429	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(H)2	C(CCCH)(CHHN)(OC)(H)	N(CCHH)(CH3)(COO)	C(CCHO)(NCC)(H)2	C(CCCH)(CHHN)(OC)(H)	N(CCHH)(CH3)(COO)	112.6470	0.798	2	112.6470	0.636	2	114.1322	2.717	6	113.9760	2.435	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(H)2	C(CCHN)(CHHN)(OS)(H)	N(CCHH)2(COO)	C(CCHO)(NCC)(H)2	C(CCHN)(CHHN)(OS)(H)	N(CCHH)2(COO)	114.5360	0.000	1	114.5360	0.000	1	114.1322	2.717	6	113.9760	2.435	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OC)(H)	N(CCHH)2(CCO)	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OC)(H)	N(CCHH)2(CCO)	116.8960	0.000	1	116.8960	0.000	1	114.1322	2.717	6	113.9760	2.435	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(H)2	C(CC[5]HH)(CHHN)(OC)(H)	N(CC[5]HH)(CCHH)(COO)	C(CCHO)(NCC)(H)2	C(CC[5]HH)(CHHN)(OC)(H)	N(CC[5]HH)(CCHH)(COO)	113.4350	0.000	1	113.4350	0.000	1	114.1322	2.717	6	113.9760	2.435	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	N(CCHH)(CH3)(CNS)	C(CCHO)(NCC)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	N(CCHH)(CH3)(CNS)	114.6320	0.000	1	114.6320	0.000	1	114.1322	2.717	6	113.9760	2.435	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CC[6]HO)(NCC)(H)2	C(C[6]C[6]2H)(CHHN)(OH)(H)	N(CCHH)2(CCO)	C(CC[6]HO)(NCC)(H)2	C(C[6]C[6]2H)(CHHN)(OH)(H)	N(CCHH)2(CCO)	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	113.9760	2.435	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:C-4:	C(CCHO)(NCS)(H)2	C(CCHN)(CHHN)(OH)(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CCHO)(NCS)(H)2	C(CCHN)(CHHN)(OH)(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	113.5840	4.257	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:C-4:	C(CCHO)(NCS)(H)2	C(CCCH)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(CH3)	C(CCHO)(NCS)(H)2	C(CCCH)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(CH3)	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	113.5840	4.257	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CN[5]O)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CN[5]O)(CCHH)(H)	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CCH)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CCH)(H)	N(CCHH)(O)2	111.7330	0.000	1	111.7330	0.000	1	112.5055	7.432	4	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(COO)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(COO)(H)	N(CCHH)(O)2	114.6520	0.298	2	114.6520	0.089	2	112.5055	7.432	4	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CCHN)(CHHN)(CCH)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CCHN)(CHHN)(CCH)(H)	N(CCHH)(O)2	108.9850	0.000	1	108.9850	0.000	1	112.5055	7.432	4	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	N(CCHH)(O)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	N(CCHH)(O)2	113.0850	0.000	1	113.0850	0.000	1	111.6600	4.061	2	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2N)(CHHN)(CCH)(H)	N(CCHH)(O)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2N)(CHHN)(CCH)(H)	N(CCHH)(O)2	110.2350	0.000	1	110.2350	0.000	1	111.6600	4.061	2	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	N(CCHH)(O)2	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	N(CCHH)(O)2	110.0870	0.336	4	110.0870	0.113	4	110.3722	1.612	8	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCH)(H)	N(CCHH)(O)2	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCH)(H)	N(CCHH)(O)2	109.7473	0.420	3	109.7473	0.177	3	110.3722	1.612	8	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCO)(H)	N(CCHH)(O)2	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCO)(H)	N(CCHH)(O)2	113.3880	0.000	1	113.3880	0.000	1	110.3722	1.612	8	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CCHN)(NOO)(H)2	C(NCoCH)(CHHN)(COO)(H)	N(CCHH)(O)2	C(CCHN)(NOO)(H)2	C(NCoCH)(CHHN)(COO)(H)	N(CCHH)(O)2	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	111.0102	3.959	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(CNO)(H)	N(CCHH)(COO)(H)	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(CNO)(H)	N(CCHH)(COO)(H)	113.9910	0.677	2	113.9910	0.459	2	113.3448	5.443	4	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	N(CCHH)(COO)(H)	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	N(CCHH)(COO)(H)	115.3630	0.000	1	115.3630	0.000	1	113.3448	5.443	4	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CF3)(CNO)(H)	N(CCHH)(CNO)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CF3)(CNO)(H)	N(CCHH)(CNO)(H)	110.0340	0.000	1	110.0340	0.000	1	113.3448	5.443	4	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	112.5515	0.062	2	112.5515	0.004	2	113.0096	1.111	32	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	113.5717	0.552	3	113.5717	0.304	3	113.0096	1.111	32	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	C(CCHN)(NCH)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	113.0518	1.227	15	113.0518	1.505	15	113.0096	1.111	32	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CCC)(H)	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CCC)(H)	111.1920	0.000	1	111.1920	0.000	1	113.0096	1.111	32	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CNO)(H)	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CNO)(H)	113.2399	0.847	9	113.2399	0.717	9	113.0096	1.111	32	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CNS)(H)	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CNS)(H)	112.6730	0.000	1	112.6730	0.000	1	113.0096	1.111	32	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(COO)(H)	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(COO)(H)	111.6880	0.000	1	111.6880	0.000	1	113.0096	1.111	32	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:	C(CCHN)(NHN)(H)2	C(CHHN)2(NHN)(H)	N(CCHH)(NOO)(H)	C(CCHN)(NHN)(H)2	C(CHHN)2(NHN)(H)	N(CCHH)(NOO)(H)	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.0653	1.434	37	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NHS)(H)	N(CCHH)2(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NHS)(H)	N(CCHH)2(H)	112.7225	2.394	2	112.7225	5.729	2	112.7225	5.729	2	112.7225	5.729	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(H)2	C(CCCH)(CHHN)(NCS)(H)	N(CCHH)2(CCO)	C(CCHN)(NCC)(H)2	C(CCCH)(CHHN)(NCS)(H)	N(CCHH)2(CCO)	113.7825	0.944	2	113.7825	0.891	2	113.7825	0.891	2	113.7825	0.891	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:3:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:O-1:O-1:	C(CCCN)(NOO)(H)2	C(CHHN)(CF3)(CCH)(NHS)	N(CCHH)(O)2	C(CCCN)(NOO)(H)2	C(CHHN)(CF3)(CCH)(NHS)	N(CCHH)(O)2	113.9635	0.279	2	113.9635	0.078	2	113.9635	0.078	2	113.9635	0.078	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:3:3:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:N-3:	C-4:C-4:C-3:	C(CCNN)(NCC)(H)2	C(CHHN)2(NOO)2	N(CC[5]HH)(CCHH)(CCO)	C(CCNN)(NCC)(H)2	C(CHHN)2(NOO)2	N(CC[5]HH)(CCHH)(CCO)	113.7758	0.716	4	113.7758	0.513	4	113.7758	0.513	4	113.7758	0.513	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-3:C-4:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]O)2(CCHH)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]O)2(CCHH)	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(NCH)(H)2	C(CC[6a]HN)(CHHN)(CH3)(H)	N(CC[6a]O)(CCHH)(H)	C(CCCH)(NCH)(H)2	C(CC[6a]HN)(CHHN)(CH3)(H)	N(CC[6a]O)(CCHH)(H)	116.0800	0.000	1	116.0800	0.000	1	113.7672	1.017	10	113.7672	1.017	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CC[3]O)(CCHH)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CC[3]O)(CCHH)(H)	113.4310	0.000	1	113.4310	0.000	1	113.7672	1.017	10	113.7672	1.017	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CC[5]O)(CCHH)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CC[5]O)(CCHH)(H)	113.9020	0.525	4	113.9020	0.276	4	113.7672	1.017	10	113.7672	1.017	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CC[6]O)(CCHH)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CC[6]O)(CCHH)(H)	113.1382	0.635	4	113.1382	0.403	4	113.7672	1.017	10	113.7672	1.017	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	N(CC[6a]O)(CCCH)(CCHH)	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	N(CC[6a]O)(CCCH)(CCHH)	117.0290	0.000	1	117.0290	0.000	1	113.9776	1.650	9	113.9776	1.650	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6]O)(CCHH)2	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6]O)(CCHH)2	113.5832	0.865	4	113.5832	0.748	4	113.9776	1.650	9	113.9776	1.650	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]O)(CCHH)2	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]O)(CCHH)2	113.6090	0.400	4	113.6090	0.160	4	113.9776	1.650	9	113.9776	1.650	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	N(CCHH)(O)2	111.3070	2.246	17	111.3070	5.044	17	111.6998	4.555	22	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CCHH)(CCNP)(CHHN)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CCHH)(CCNP)(CHHN)(H)	N(CCHH)(O)2	112.1040	0.000	1	112.1040	0.000	1	111.6998	4.555	22	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CF3)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CF3)(H)	N(CCHH)(O)2	112.5205	0.115	2	112.5205	0.013	2	111.6998	4.555	22	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CHHO)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CHHO)(H)	N(CCHH)(O)2	113.8240	0.000	1	113.8240	0.000	1	111.6998	4.555	22	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(NOO)(H)2	C(CC[6a]CN)(CHHN)(CC3)(H)	N(CCHH)(O)2	C(CCCH)(NOO)(H)2	C(CC[6a]CN)(CHHN)(CC3)(H)	N(CCHH)(O)2	114.2070	0.000	1	114.2070	0.000	1	111.6998	4.555	22	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	N(CCHH)(O)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	N(CCHH)(O)2	110.2740	0.000	1	110.2740	0.000	1	111.9160	3.595	3	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	N(CCHH)(O)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	N(CCHH)(O)2	113.9910	0.000	1	113.9910	0.000	1	111.9160	3.595	3	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	N(CCHH)(O)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	N(CCHH)(O)2	111.4830	0.000	1	111.4830	0.000	1	111.9160	3.595	3	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	N(CCHH)(O)2	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	N(CCHH)(O)2	112.6750	0.000	1	112.6750	0.000	1	113.1560	0.764	5	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	N(CCHH)(O)2	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	N(CCHH)(O)2	113.2763	0.960	4	113.2763	0.922	4	113.1560	0.764	5	111.9641	3.950	30	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	N(CCHH)(COO)(H)	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	N(CCHH)(COO)(H)	115.2180	0.000	1	115.2180	0.000	1	113.6374	1.020	7	113.5009	1.023	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(CCC)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(CCC)(H)	112.6430	0.000	1	112.6430	0.000	1	113.6374	1.020	7	113.5009	1.023	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(CCO)(H)	113.3617	1.090	3	113.3617	1.187	3	113.6374	1.020	7	113.5009	1.023	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(CNO)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(CNO)(H)	113.7580	0.000	2	113.7580	0.000	2	113.6374	1.020	7	113.5009	1.023	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCHH)(H)	N(CCHH)(CNO)(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCHH)(H)	N(CCHH)(CNO)(H)	112.5450	0.000	1	112.5450	0.000	1	112.5450	0.000	1	113.5009	1.023	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(NHS)(H)2	C(CHHN)(CH3)2(H)	N(SC[6a]OO)(CCHH)(H)	C(CCCH)(NHS)(H)2	C(CHHN)(CH3)2(H)	N(SC[6a]OO)(CCHH)(H)	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CCCH)(CHHN)(CH3)(H)	N(CCHH)2(COO)	C(CCCH)(NCC)(H)2	C(CCCH)(CHHN)(CH3)(H)	N(CCHH)2(COO)	113.9180	0.000	1	113.9180	0.000	1	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	N(CCCH)(CCHH)(CCO)	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	N(CCCH)(CCHH)(CCO)	115.6115	1.926	4	115.6115	3.709	4	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CCO)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CCO)	114.0647	0.882	7	114.0647	0.779	7	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CNO)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CNO)	113.4105	1.982	2	113.4105	3.928	2	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CNS)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CNS)	113.9017	1.080	12	113.9017	1.167	12	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(COO)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(COO)	114.3625	0.238	2	114.3625	0.057	2	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CSS)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CSS)	114.2889	0.888	10	114.2889	0.788	10	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CSeN)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(CSeN)	112.4290	1.407	2	112.4290	1.980	2	114.1233	1.496	40	114.1233	1.496	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:Br-1:	S-4:C-4:C-4:	C(CBrCC)(NCS)(H)2	C(CC[6a]HO)(CHHN)(CH3)(Br)	N(SC[6a]OO)(CCCH)(CCHH)	C(CBrCC)(NCS)(H)2	C(CC[6a]HO)(CHHN)(CH3)(Br)	N(SC[6a]OO)(CCCH)(CCHH)	112.3580	0.976	2	112.3580	0.952	2	112.3580	0.952	2	114.9939	2.168	34	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CIrNN)(CCHH)2	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CIrNN)(CCHH)2	115.5140	0.823	3	115.5140	0.677	3	115.5140	0.677	3	114.9939	2.168	34	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PHNN)	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PHNN)	114.3554	0.635	14	114.3554	0.403	14	115.1218	1.931	29	114.9939	2.168	34	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PINN)	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PINN)	114.8190	0.000	1	114.8190	0.000	1	115.1218	1.931	29	114.9939	2.168	34	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PN3)	115.9099	1.564	14	115.9099	2.447	14	115.1218	1.931	29	114.9939	2.168	34	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:1:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:O-1:O-1:	C(CC[5]CO)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	N(CCHH)(O)2	C(CC[5]CO)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	N(CCHH)(O)2	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:C-3:H-1:	C(CCCS)(NCH)(H)2	C(CHHN)(CH3)2(SC)	N(CCHH)(CCO)(H)	C(CCCS)(NCH)(H)2	C(CHHN)(CH3)2(SC)	N(CCHH)(CCO)(H)	114.4810	0.191	2	114.4810	0.036	2	114.4810	0.036	2	114.4810	0.036	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:	C(CCCO)(NCC)(H)2	C(CHHN)(CHHO)2(OH)	N(CCHH)2(CCO)	C(CCCO)(NCC)(H)2	C(CHHN)(CHHO)2(OH)	N(CCHH)2(CCO)	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:3:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:	C(CC3)(NCH)(H)2	C(CHHN)(CH3)2(CHN)	N(CCHH)2(H)	C(CC3)(NCH)(H)2	C(CHHN)(CH3)2(CHN)	N(CCHH)2(H)	112.6775	0.091	2	112.6775	0.008	2	112.6775	0.008	2	112.6775	0.008	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CC[6]H)(CCHH)(H)	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CC[6]H)(CCHH)(H)	114.0033	1.648	3	114.0033	2.716	3	114.0033	2.716	3	114.0033	2.716	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CCHH)(CCO)(H)	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CCHH)(CCO)(H)	113.7105	0.508	2	113.7105	0.258	2	115.6732	5.796	17	115.6732	5.796	17	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CCHH)(COO)(H)	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CCHH)(COO)(H)	116.2940	0.000	1	116.2940	0.000	1	115.6732	5.796	17	115.6732	5.796	17	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(NCH)(H)2	C(CHHN)3(CH3)	N(CCHH)(CCO)(H)	C(CC3)(NCH)(H)2	C(CHHN)3(CH3)	N(CCHH)(CCO)(H)	117.2613	2.121	9	117.2613	4.497	9	115.6732	5.796	17	115.6732	5.796	17	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(NCH)(H)2	C(CHHN)4	N(CCHH)(CCO)(H)	C(CC3)(NCH)(H)2	C(CHHN)4	N(CCHH)(CCO)(H)	113.4754	0.625	5	113.4754	0.390	5	115.6732	5.796	17	115.6732	5.796	17	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-2:	C(CC3)(NCC)(H)2	C(CHHN)(CH3)3	N(CCHH)2(CN)	C(CC3)(NCC)(H)2	C(CHHN)(CH3)3	N(CCHH)2(CN)	115.1520	0.280	2	115.1520	0.078	2	115.1520	0.078	2	115.1520	0.078	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC3)(NCC)(H)2	C(CHHN)(CH3)3	N(CCHH)2(CIrN)	C(CC3)(NCC)(H)2	C(CHHN)(CH3)3	N(CCHH)2(CIrN)	116.8855	1.529	2	116.8855	2.339	2	116.6923	1.282	3	115.5605	2.699	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC3)(NCC)(H)2	C(CHHN)(CHHO)(CH3)2	N(CC[6a]HH)(CCHH)(CCO)	C(CC3)(NCC)(H)2	C(CHHN)(CHHO)(CH3)2	N(CC[6a]HH)(CCHH)(CCO)	116.3060	0.000	1	116.3060	0.000	1	116.6923	1.282	3	115.5605	2.699	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:C-3:	C(CC3)(NCS)(H)2	C(CHHN)(CHHO)(CH3)2	N(CCHH)(SCOO)(CCH)	C(CC3)(NCS)(H)2	C(CHHN)(CHHO)(CH3)2	N(CCHH)(SCOO)(CCH)	114.9840	1.181	2	114.9840	1.394	2	114.9840	1.394	2	115.5605	2.699	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:C-3:	C(CC3)(NCS)(H)2	C(CHHN)(CHHO)(CH3)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC3)(NCS)(H)2	C(CHHN)(CHHO)(CH3)2	N(SC[6a]OO)(CCHH)(CCH)	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	115.5605	2.699	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	3:4:1:	C-4:N-3:O-2:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(OH)(H)	C(NC[5a]H)(CHNO)(H)2	N(CC[5a]O)(CCHO)(H)	C(CHHN)(NCH)(OH)(H)	C(NC[5a]H)(CHNO)(H)2	N(CC[5a]O)(CCHO)(H)	114.1320	0.000	1	114.1320	0.000	1	114.1320	0.000	1	114.1320	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:1:	C-4:N-3:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(CC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(NCH)(CC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	109.7070	3.931	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:1:	C-4:N-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(H)2	N(CCHO)(COO)(H)	C(CC[6a]HH)(NCH)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(H)2	N(CCHO)(COO)(H)	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	109.7070	3.931	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:3:1:	3:4:4:	C-4:N-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:S-4:C-4:	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	3:4:1:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(NCH)(CC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CH3)(NCH)(CC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:1:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(CH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)(NCH)(CH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.2747	0.336	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:1:	C-4:N-3:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:H-1:	C(CCl3)(NCH)(OH)(H)	C(CHNO)(Cl)3	N(CCHO)(CHO)(H)	C(CCl3)(NCH)(OH)(H)	C(CHNO)(Cl)3	N(CCHO)(CHO)(H)	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	110.2747	0.336	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:1:	C-4:N-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(OH)(H)	C(CHNO)(H)3	N(CCHO)(CCO)(H)	C(CH3)(NCH)(OH)(H)	C(CHNO)(H)3	N(CCHO)(CCO)(H)	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.2747	0.336	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:3:1:1:	4:3:1:	C-4:N-3:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(CNO)(H)	113.2930	0.000	1	113.2930	0.000	1	113.2930	0.000	1	112.4713	0.536	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(OC)(H)	C(CHNO)(CCC)(H)2	N(CCHO)(CNO)(H)	C(CCHH)(NCH)(OC)(H)	C(CHNO)(CCC)(H)2	N(CCHO)(CNO)(H)	112.0605	0.244	2	112.0605	0.060	2	112.0605	0.060	2	112.4713	0.536	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-2:H-1:	C-4:N-3:O-2:H-1:	C-4:C-3:H-1:	C(CHNO)(NCH)(OH)(H)	C(CHNO)(NCH)(OH)(H)	N(CCHO)(CHO)(H)	C(CHNO)(NCH)(OH)(H)	C(CHNO)(NCH)(OH)(H)	N(CCHO)(CHO)(H)	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	2:4:3:	C-4:N-3:O-2:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-3:	C(CCHH)(NCO)(OH)(H)	C(CC[6a]HH)(CHNO)(H)2	N(OC[6a])(CCHO)(CCO)	C(CCHH)(NCO)(OH)(H)	C(CC[6a]HH)(CHNO)(H)2	N(OC[6a])(CCHO)(CCO)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	4:3:4:	C-4:N-3:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(NCC)(CN)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(CCHH)(NCC)(CN)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CC[6a]CH)(CC[6a]O)(CCCH)	114.5360	0.137	2	114.5360	0.019	2	114.5360	0.019	2	114.5360	0.019	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	3:4:3:	C-4:N-3:C-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:	C(CCCH)(NCN)(CN)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(NCC)	C(CCCH)(NCN)(CN)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(NCC)	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	2:4:1:1:	4:1:1:	C-4:N-3:N-3:F-1:	O-2:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(NOO)2(F)	C(OC[6a])(CFNN)(H)2	N(CCFN)(O)2	C(CHHO)(NOO)2(F)	C(OC[6a])(CFNN)(H)2	N(CCFN)(O)2	111.0440	0.934	6	111.0440	0.872	6	111.0440	0.872	6	111.0440	0.872	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	2:4:4:2:	4:4:1:	C-4:C-3:N-3:H-1:	O-2:C-4:C-4:C-2:	S-4:C-4:H-1:	C(CCCO)(CNO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(CNO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:2:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	N(CC[5]O)(CCCH)(H)	C(CC[6a]HO)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	N(CC[5]O)(CCCH)(H)	112.0865	0.958	2	112.0865	0.918	2	112.0865	0.918	2	112.4970	0.965	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:2:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]HS)(COS)(NCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HS)(COS)(NCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	N(CC[6a]O)(CCCH)(H)	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	112.4970	0.965	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-3:C-3:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CC[6a]O)2(CCHN)(H)	N(CCCH)(COO)(H)	C(CCCH)(COO)(NCH)(H)	C(CC[6a]O)2(CCHN)(H)	N(CCCH)(COO)(H)	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	110.9433	8.297	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:	C(CC[5a]C[6a]H)(COO)(NHN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(NCH)(H)	C(CC[5a]C[6a]H)(COO)(NHN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(NCH)(H)	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	110.9433	8.297	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]2H)(CNO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(COO)(H)	C(CC[6a]2H)(CNO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(COO)(H)	112.0940	0.000	1	112.0940	0.000	1	111.0143	7.754	4	110.9433	8.297	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]2H)(COO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(CCO)(H)	C(CC[6a]2H)(COO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(CCO)(H)	108.9570	2.103	2	108.9570	4.422	2	111.0143	7.754	4	110.9433	8.297	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]2H)(COO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(COO)(H)	C(CC[6a]2H)(COO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(COO)(H)	114.0490	0.000	1	114.0490	0.000	1	111.0143	7.754	4	110.9433	8.297	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:4:1:	C-4:C[6a]-3:N-3:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:P-4:H-1:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)(H)	111.6390	0.404	2	111.6390	0.164	2	111.6390	0.164	2	111.6390	0.164	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	111.4265	0.234	2	111.4265	0.055	2	111.4265	0.055	2	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	109.7092	1.297	4	109.7092	1.683	4	110.8577	1.190	19	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	111.1928	0.304	4	111.1928	0.092	4	110.8577	1.190	19	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	111.8910	0.000	1	111.8910	0.000	1	110.8577	1.190	19	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]H)(CCCH)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]H)(CCCH)(H)	110.4760	0.000	1	110.4760	0.000	1	110.8577	1.190	19	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	111.2225	1.068	8	111.2225	1.140	8	110.8577	1.190	19	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.5410	0.000	1	110.5410	0.000	1	110.8577	1.190	19	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(CC[6a]HH)(CHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	110.6680	0.000	1	110.6680	0.000	1	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	111.4140	0.574	2	111.4140	0.330	2	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	111.3327	1.673	19	111.3327	2.798	19	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6,6]O)(CCCH)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6,6]O)(CCCH)(H)	111.2380	0.000	1	111.2380	0.000	1	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	109.3640	1.782	3	109.3640	3.175	3	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	111.6154	0.972	5	111.6154	0.944	5	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	110.0407	1.247	3	110.0407	1.556	3	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.0970	0.000	1	110.0970	0.000	1	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	110.0550	0.725	3	110.0550	0.526	3	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]C)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]C)(CCCH)(H)	110.3380	0.000	1	110.3380	0.000	1	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	111.1681	1.124	7	111.1681	1.264	7	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	111.6340	1.094	4	111.6340	1.196	4	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6,6]O)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6,6]O)(CCCH)(H)	112.5030	0.000	1	112.5030	0.000	1	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	112.3075	0.518	2	112.3075	0.269	2	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	111.6277	0.746	4	111.6277	0.556	4	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]C[5])(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]C[5])(CCCH)(H)	110.9903	0.507	3	110.9903	0.257	3	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]H)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]H)(CCCH)(H)	111.0300	0.000	1	111.0300	0.000	1	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	111.5592	1.168	14	111.5592	1.364	14	111.2149	1.696	75	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:O-1:	C(CC[6a]HH)(COO)(NCO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]2)(CCCH)(O)	C(CC[6a]HH)(COO)(NCO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]2)(CCCH)(O)	109.4990	0.610	2	109.4990	0.372	2	109.4990	0.372	2	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	109.2443	0.181	3	109.2443	0.033	3	109.1922	0.169	5	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:1:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6a]C[6a]N[6a])(CCCH)(H)	109.1140	0.768	2	109.1140	0.590	2	109.1922	0.169	5	111.0216	1.697	103	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	3:4:4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[5]HH)(COO)(NHH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(H)2	C(CC[5]HH)(COO)(NHH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(H)2	106.5550	0.000	1	106.5550	0.000	1	106.5550	0.000	1	111.4215	4.184	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[5a]HH)(COO)(NHH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(H)2	C(CC[5a]HH)(COO)(NHH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(H)2	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	111.4215	4.184	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:N-3:N-3:F-1:	N-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)2(F)	C(NN[5a]H)(CFNN)(H)2	N(CCFN)(O)2	C(CHHN)(NOO)2(F)	C(NN[5a]H)(CFNN)(H)2	N(CCFN)(O)2	112.6350	1.116	2	112.6350	1.245	2	112.6350	1.245	2	111.4215	4.184	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:N-3:N-3:F-1:	N[5a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CN[5a]HH)(NOO)2(F)	C(N[5a]C[5a]2)(CFNN)(H)2	N(CCFN)(O)2	C(CN[5a]HH)(NOO)2(F)	C(N[5a]C[5a]2)(CFNN)(H)2	N(CCFN)(O)2	112.1050	3.195	2	112.1050	10.206	2	111.8482	2.373	10	111.4215	4.184	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:N-3:N-3:F-1:	N[5a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CN[5a]HH)(NOO)2(F)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N(CCFN)(O)2	C(CN[5a]HH)(NOO)2(F)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N(CCFN)(O)2	111.7840	1.253	8	111.7840	1.569	8	111.8482	2.373	10	111.4215	4.184	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CC[5,6]H)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CC[5,6]H)(CCHN)(H)2	N(CCCH)(COO)(H)	107.5900	0.000	1	107.5900	0.000	1	108.1535	0.635	2	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CN[5]O)(CCHN)(H)2	N(CCCH)(CNN)(H)	C(CCHH)(COO)(NCH)(H)	C(CN[5]O)(CCHN)(H)2	N(CCCH)(CNN)(H)	108.7170	0.000	1	108.7170	0.000	1	108.1535	0.635	2	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(CNS)(H)	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(CNS)(H)	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	111.0440	0.523	2	111.0440	0.274	2	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(COO)(H)	109.7470	3.678	2	109.7470	13.530	2	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	112.3160	0.000	1	112.3160	0.000	1	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(CN[5]O)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[5a]HH)(CN[5]O)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	108.1210	0.061	2	108.1210	0.004	2	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCH)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCH)(H)	114.1310	0.451	2	114.1310	0.204	2	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	111.0957	1.459	21	111.0957	2.128	21	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CNS)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CNS)(H)	111.6100	0.000	1	111.6100	0.000	1	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(CCO)(H)	111.9440	0.000	1	111.9440	0.000	1	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(COO)(H)	108.3060	0.000	1	108.3060	0.000	1	111.0082	3.323	33	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:N-3:H-1:	C(CC[6a]ClH)(COO)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(CCCH)(NCH)(H)	C(CC[6a]ClH)(COO)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(CCCH)(NCH)(H)	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.6035	1.197	8	110.6035	1.433	8	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	N(CCCH)(CCO)(H)	109.8940	0.000	1	109.8940	0.000	1	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.9772	1.380	63	110.9772	1.903	63	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)(H)	108.9530	0.567	2	108.9530	0.322	2	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNS)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNS)(H)	112.6690	0.000	1	112.6690	0.000	1	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	110.5771	1.428	52	110.5771	2.039	52	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.3546	1.164	7	110.3546	1.354	7	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	110.2740	1.013	3	110.2740	1.027	3	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCC)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCC)(H)	111.2765	1.249	2	111.2765	1.561	2	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.0821	1.268	101	111.0821	1.609	101	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)(H)	110.7794	1.386	7	110.7794	1.920	7	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNS)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNS)(H)	111.5810	0.679	6	111.5810	0.462	6	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	111.5031	1.200	22	111.5031	1.439	22	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CPdN)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CPdN)(H)	112.0210	1.874	2	112.0210	3.511	2	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	N(CCCH)(COO)(H)	112.7170	0.000	1	112.7170	0.000	1	110.9597	1.781	278	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(COO)(NCH)(H)	C(N[5]C[5]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CN[5]HH)(COO)(NCH)(H)	C(N[5]C[5]2)(CCHN)(H)2	N(CCCH)(COO)(H)	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	110.9371	1.982	316	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:3:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CC[5a]HH)(COO)(NCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCH)(COO)	C(CC[5a]HH)(COO)(NCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(CCH)(COO)	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[5a]HH)(COO)(NCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]CH)(CCCH)(CCO)	C(CC[5a]HH)(COO)(NCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]CH)(CCCH)(CCO)	114.4350	0.000	1	114.4350	0.000	1	114.4350	0.000	1	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(CCO)	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(CCO)	112.2590	0.000	1	112.2590	0.000	1	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	112.0805	0.340	2	112.0805	0.116	2	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CHO)	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CHO)	112.5980	0.901	2	112.5980	0.812	2	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(COO)	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(COO)	113.0350	0.038	2	113.0350	0.001	2	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]CH)(CCCH)(CCO)	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]CH)(CCCH)(CCO)	111.3790	0.000	1	111.3790	0.000	1	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(CN[5]O)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	C(CC[6a]HH)(CN[5]O)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	113.4865	1.087	2	113.4865	1.181	2	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	112.5180	0.000	1	112.5180	0.000	1	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(COO)	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(COO)	112.7520	0.298	2	112.7520	0.089	2	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(COS)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	C(CC[6a]HH)(COS)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	117.3720	0.000	1	117.3720	0.000	1	112.9594	2.101	14	113.0578	2.096	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:Br-1:H-1:	S-4:C-4:C-4:	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(Br)(H)	N(SC[6a]OO)(CCCH)(CH3)	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(Br)(H)	N(SC[6a]OO)(CCCH)(CH3)	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	112.1673	1.055	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:S-4:	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(SCOO)	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(SCOO)	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	112.1673	1.055	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	112.1673	1.055	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:2:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CC[5a]HO)(COO)(NCH)(H)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[5a]HO)(COO)(NCH)(H)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	112.2390	0.227	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:2:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	112.4020	0.543	2	112.4020	0.295	2	112.4020	0.295	2	112.2390	0.227	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	C(CC[6a]HO)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	110.1770	0.000	1	110.1770	0.000	1	110.5127	0.990	3	110.5127	0.990	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	109.7290	0.000	1	109.7290	0.000	1	110.5127	0.990	3	110.5127	0.990	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	111.6320	0.000	1	111.6320	0.000	1	110.5127	0.990	3	110.5127	0.990	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	N(SC[6a]OO)(CCCH)(H)	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:C-4:	C(CC[6a]HO)(CCH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	C(CC[6a]HO)(CCH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CCCH)(O)2	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CCCH)(O)2	108.6780	0.000	1	108.6780	0.000	1	110.2220	4.768	2	110.2220	4.768	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(COO)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(O)2	C(CC[6a]HN)(COO)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(O)2	111.7660	0.000	1	111.7660	0.000	1	110.2220	4.768	2	110.2220	4.768	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	C(CC[6a]CH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	110.6910	0.000	1	110.6910	0.000	1	110.6910	0.000	1	112.5343	2.798	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HN)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(CCO)(H)	113.4560	0.707	2	113.4560	0.500	2	113.4560	0.500	2	112.5343	2.798	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:3:3:	3:4:1:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:	C(CC[6a]CN)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]CN)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	N(C[6a]C[6a]2)(CCCH)(H)	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CC[5,5,6]O)(CCCH)(H)	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CC[5,5,6]O)(CCCH)(H)	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:4:1:	4:1:1:	C-4:C-3:N-3:F-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(COO)(NOO)(F)	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	N(CCCF)(O)2	C(CC[6a]CH)(COO)(NOO)(F)	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	N(CCCF)(O)2	107.4280	0.000	1	107.4280	0.000	1	107.4280	0.000	1	108.5000	2.298	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:4:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:	C(CC[6a]CH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CCCH)(H)2	C(CC[6a]CH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CCCH)(H)2	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	108.5000	2.298	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	N(CCCH)(COO)(H)	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	N(CCCH)(COO)(H)	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	3:4:4:4:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC[6a]CC)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)2	N(CCCH)(CH3)(CCO)	C(CC[6a]CC)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)2	N(CCCH)(CH3)(CCO)	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[4]O)(CCCH)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[4]O)(CCCH)(H)	108.8440	0.000	1	108.8440	0.000	1	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[5,6]O)(CCCH)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[5,6]O)(CCCH)(H)	109.4320	0.000	1	109.4320	0.000	1	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	110.1054	0.830	16	110.1054	0.688	16	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6,6]O)(CCCH)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6,6]O)(CCCH)(H)	109.2210	0.000	1	109.2210	0.000	1	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	109.4820	0.418	6	109.4820	0.175	6	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	111.0149	1.155	16	111.0149	1.335	16	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[4,6]O)(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[4,6]O)(CCCH)(H)	110.5872	0.819	4	110.5872	0.670	4	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[4]O)(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[4]O)(CCCH)(H)	110.1370	0.000	1	110.1370	0.000	1	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	111.4000	0.900	5	111.4000	0.810	5	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[5a]O)(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[5a]O)(CCCH)(H)	110.6992	1.402	6	110.6992	1.965	6	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	110.5973	1.220	4	110.5973	1.489	4	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C[5])(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C[5])(CCCH)(H)	111.4635	0.941	2	111.4635	0.886	2	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	111.3987	1.023	23	111.3987	1.046	23	110.7382	1.332	86	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:S-1:	C-3:C-4:H-1:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(H)2(S)	N(CC[6a]O)(CCCH)(H)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(H)2(S)	N(CC[6a]O)(CCCH)(H)	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	110.7393	1.316	87	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(NHH)	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(NHH)	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(CH3)	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(CH3)	112.2380	0.000	1	112.2380	0.000	1	112.5057	0.062	3	112.5057	0.062	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CH3)	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CH3)	112.6395	0.132	2	112.6395	0.017	2	112.5057	0.062	3	112.5057	0.062	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-3:H-1:	C(CBrHH)(CCH)(NCH)(H)	C(CCHN)(Br)(H)2	N(CCCH)(CCO)(H)	C(CBrHH)(CCH)(NCH)(H)	C(CCHN)(Br)(H)2	N(CCCH)(CCO)(H)	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)(CCH)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	109.5620	0.000	1	109.5620	0.000	1	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CHH)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)(CHH)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	111.7700	0.000	1	111.7700	0.000	1	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CHN)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CH3)(CHN)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	109.7640	0.000	1	109.7640	0.000	1	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CHO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CH3)(CHO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	111.0380	0.000	1	111.0380	0.000	1	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.1935	0.866	57	110.1935	0.749	57	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	109.9769	1.002	47	109.9769	1.004	47	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.1119	1.043	75	110.1119	1.089	75	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	110.4880	0.912	2	110.4880	0.832	2	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	111.9380	0.000	1	111.9380	0.000	1	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	111.0077	2.032	3	111.0077	4.131	3	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CSS)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CSS)(H)	110.0693	0.435	3	110.0693	0.189	3	110.1386	0.991	192	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:I-1:	C-4:C-3:H-1:	C(CHHI)(COO)(NCH)(H)	C(CCHN)(H)2(I)	N(CCCH)(COO)(H)	C(CHHI)(COO)(NCH)(H)	C(CCHN)(H)2(I)	N(CCCH)(COO)(H)	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	110.1587	1.034	194	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CCCH)(COO)(NCH)	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CCCH)(COO)(NCH)	112.6955	0.598	2	112.6955	0.357	2	112.6955	0.357	2	112.6955	0.357	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-3:C-4:	C(CH3)(CCH)(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CC[5]H)(CCCH)	C(CH3)(CCH)(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CC[5]H)(CCCH)	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)(COO)(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	109.9604	0.810	9	109.9604	0.656	9	109.9604	0.656	9	110.1784	2.349	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	112.1045	3.723	2	112.1045	13.860	2	110.5708	6.024	5	110.1784	2.349	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)(COO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CH3)(COO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	109.5483	1.094	3	109.5483	1.198	3	110.5708	6.024	5	110.1784	2.349	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(CCH)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	C(CH3)(CCH)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	110.0150	0.000	1	110.0150	0.000	1	111.8426	1.074	7	111.8426	1.074	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(CCO)	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(CCO)	112.0177	0.231	3	112.0177	0.053	3	111.8426	1.074	7	111.8426	1.074	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCO)	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCO)	112.2767	1.081	3	112.2767	1.170	3	111.8426	1.074	7	111.8426	1.074	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(CHH)(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	C(CH3)(CHH)(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	112.2960	2.893	2	112.2960	8.372	2	111.6578	3.232	11	111.6578	3.232	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	111.7720	1.553	2	111.7720	2.411	2	111.6578	3.232	11	111.6578	3.232	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	111.4429	1.843	7	111.4429	3.396	7	111.6578	3.232	11	111.6578	3.232	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:1:1:	C-4:N-3:N-3:F-1:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(NOO)2(F)	C(CFNN)(OC)(H)2	N(CCFN)(O)2	C(CHHO)(NOO)2(F)	C(CFNN)(OC)(H)2	N(CCFN)(O)2	111.3047	0.692	6	111.3047	0.479	6	111.3047	0.479	6	111.3047	0.479	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CC)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CC)(H)2	N(CCCH)(CCO)(H)	108.8500	0.000	1	108.8500	0.000	1	108.9820	0.035	2	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CN)(H)2	N(CCCH)(COO)(H)	109.1140	0.000	1	109.1140	0.000	1	108.9820	0.035	2	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CCH)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(CCH)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	107.5160	0.000	1	107.5160	0.000	1	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	110.6400	0.618	2	110.6400	0.382	2	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)(H)	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)(H)	110.3390	0.000	1	110.3390	0.000	1	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	111.3040	1.529	3	111.3040	2.338	3	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(COO)(H)	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(COO)(H)	110.5458	1.573	11	110.5458	2.475	11	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	111.2910	1.055	2	111.2910	1.113	2	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCC)(H)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCC)(H)	108.3150	0.000	1	108.3150	0.000	1	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	110.8626	0.726	16	110.8626	0.527	16	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(COO)(H)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(COO)(H)	108.2080	0.000	1	108.2080	0.000	1	110.5778	1.700	38	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(CCO)(H)	111.3427	0.819	3	111.3427	0.671	3	111.6933	2.261	30	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SH)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SH)(H)2	N(CCCH)(CCO)(H)	110.4507	0.661	4	110.4507	0.437	4	111.6933	2.261	30	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SS)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SS)(H)2	N(CCCH)(CCO)(H)	111.2360	0.000	1	111.2360	0.000	1	111.6933	2.261	30	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(CCO)(H)	110.8847	1.224	7	110.8847	1.498	7	111.6933	2.261	30	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SH)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SH)(H)2	N(CCCH)(CCO)(H)	112.8234	0.397	7	112.8234	0.158	7	111.6933	2.261	30	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SRu)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SRu)(H)2	N(CCCH)(CCO)(H)	113.4145	0.858	2	113.4145	0.736	2	111.6933	2.261	30	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SS)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SS)(H)2	N(CCCH)(CCO)(H)	111.8242	2.278	6	111.8242	5.190	6	111.6933	2.261	30	111.0103	2.288	70	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(COO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CHHO)(COO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:4:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]HO)(COO)(NOO)(H)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	N(CCCH)(O)2	C(CC[5]HO)(COO)(NOO)(H)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	N(CCCH)(O)2	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:2:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:Se-2:C-4:H-1:	C-4:C-3:H-1:	C(CSeCH)(COO)(NCH)(H)	C(CCHN)(SeSe)(CH3)(H)	N(CCCH)(CCO)(H)	C(CSeCH)(COO)(NCH)(H)	C(CCHN)(SeSe)(CH3)(H)	N(CCCH)(CCO)(H)	113.8315	0.552	2	113.8315	0.305	2	113.8315	0.305	2	113.8315	0.305	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]O)(CCCH)(H)	109.2855	0.610	2	109.2855	0.372	2	110.6598	1.803	13	110.6598	1.803	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]O)(CCCH)(H)	110.7832	1.123	4	110.7832	1.261	4	110.6598	1.803	13	110.6598	1.803	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CC[5a]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CC[5a]O)(CCCH)(H)	110.2220	0.000	1	110.2220	0.000	1	110.6598	1.803	13	110.6598	1.803	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CC[6a]O)(CCCH)(H)	111.1087	1.564	6	111.1087	2.448	6	110.6598	1.803	13	110.6598	1.803	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	3:4:4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CCH)(H)2	N(CC[6a]O)(CCCH)(CCHH)	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CCH)(H)2	N(CC[6a]O)(CCCH)(CCHH)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:1:1:	C-4:N-3:N-3:F-1:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)2(F)	C(CFNN)(NCH)(H)2	N(CCFN)(O)2	C(CHHN)(NOO)2(F)	C(CFNN)(NCH)(H)2	N(CCFN)(O)2	111.5690	0.608	4	111.5690	0.369	4	111.5690	0.369	4	111.1193	6.007	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:1:1:	C-4:N-3:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)2(H)	C(CHNN)(NCN)(H)2	N(CCHN)(O)2	C(CHHN)(NOO)2(H)	C(CHNN)(NCN)(H)2	N(CCHN)(O)2	110.2200	5.148	2	110.2200	26.499	2	110.2200	26.499	2	111.1193	6.007	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(CCO)(H)	111.4210	0.000	1	111.4210	0.000	1	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(COO)(H)	112.4700	0.000	1	112.4700	0.000	1	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)(H)	111.8503	1.916	4	111.8503	3.672	4	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(CCO)(H)	111.0940	0.000	1	111.0940	0.000	1	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(CCO)(H)	111.7553	2.880	3	111.7553	8.292	3	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCO)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCO)(H)2	N(CCCH)(COO)(H)	113.5130	0.000	1	113.5130	0.000	1	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(CCO)(H)	109.0240	0.000	1	109.0240	0.000	1	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	111.9929	1.291	10	111.9929	1.667	10	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CNO)(H)	111.9480	0.000	1	111.9480	0.000	1	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)(H)	111.3170	1.134	4	111.3170	1.286	4	111.7531	2.288	27	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SCN)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SCN)(H)2	N(CCCH)(CCO)(H)	111.1140	0.000	2	111.1140	0.000	2	111.5930	0.984	5	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SCO)(H)2	N(CCCH)(COO)(H)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SCO)(H)2	N(CCCH)(COO)(H)	111.9123	1.260	3	111.9123	1.586	3	111.5930	0.984	5	111.7281	2.049	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCHH)(H)	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	111.0030	1.771	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CNO)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CNO)(H)2	N(SC[6a]OO)(CCCH)(H)	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	111.0030	1.771	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:3:3:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:C-3:H-1:	S-4:C-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CNO)(COO)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CNO)(COO)(H)	N(SC[6a]OO)(CCCH)(H)	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.1490	0.000	1	110.1490	0.000	1	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	110.2783	1.227	7	110.2783	1.505	7	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[4]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[4]O)(CCCH)(H)	111.0160	0.562	3	111.0160	0.315	3	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	110.3710	1.795	14	110.3710	3.222	14	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	111.4580	0.000	1	111.4580	0.000	1	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.1532	0.529	9	110.1532	0.280	9	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	109.9180	0.000	1	109.9180	0.000	1	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[3x6]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[3x6]O)(CCCH)(H)	110.2260	0.000	1	110.2260	0.000	1	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	109.6997	0.985	3	109.6997	0.971	3	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	110.3560	0.000	1	110.3560	0.000	1	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	111.5877	1.583	3	111.5877	2.507	3	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	111.8160	0.000	1	111.8160	0.000	1	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]O)(CCCH)(H)	109.8555	1.551	2	109.8555	2.405	2	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	110.8724	1.258	5	110.8724	1.584	5	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	109.5385	0.878	4	109.5385	0.771	4	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5a]O)(CCCH)(H)	112.0138	0.657	4	112.0138	0.432	4	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	110.3387	0.904	3	110.3387	0.817	3	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	112.0868	2.564	6	112.0868	6.573	6	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	110.5500	1.000	2	110.5500	1.000	2	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	108.4610	0.443	2	108.4610	0.196	2	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.6888	1.096	5	110.6888	1.200	5	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]O)(CCCH)(H)	113.4835	1.568	2	113.4835	2.458	2	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]C[5])(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]C[5])(CCCH)(H)	109.3800	0.000	1	109.3800	0.000	1	110.6295	2.287	81	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:O-1:	C(CCHH)(CCH)(NCO)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]2)(CCCH)(O)	C(CCHH)(CCH)(NCO)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]2)(CCCH)(O)	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	111.4127	0.470	6	111.4127	0.221	6	111.4127	0.221	6	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:N-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)2(H)	C(CCCH)(CHNN)(H)2	N(CC[5]O)(CCHN)(H)	C(CCHH)(NCH)2(H)	C(CCCH)(CHNN)(H)2	N(CC[5]O)(CCHN)(H)	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	110.6841	2.140	89	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(CH3)	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(CH3)	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	As-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CAsHH)(COO)(NCH)(H)	C(AsC[6a]2Rh)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CAsHH)(COO)(NCH)(H)	C(AsC[6a]2Rh)(CCHN)(H)2	N(CCCH)(COO)(H)	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCC)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CCC)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CCO)(H)	109.8007	1.621	3	109.8007	2.626	3	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CCH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.4235	1.928	4	110.4235	3.718	4	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CCH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.7095	0.726	2	110.7095	0.527	2	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	109.8465	0.493	4	109.8465	0.243	4	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CCO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(COO)(H)	109.9290	0.000	1	109.9290	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.3200	0.000	1	110.3200	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.8742	1.826	102	110.8742	3.335	102	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.0889	1.923	32	110.0889	3.698	32	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.7399	1.607	11	110.7399	2.583	11	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.9730	0.000	1	110.9730	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(COO)(H)	110.4590	0.000	1	110.4590	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CCO)(H)	110.7925	0.063	2	110.7925	0.004	2	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CSeHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CSeHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.1060	0.000	1	110.1060	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.4749	1.485	51	110.4749	2.204	51	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCS)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCS)(H)	111.5235	0.429	4	111.5235	0.184	4	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CHO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CHO)(H)	110.0020	0.000	1	110.0020	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNN)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNN)(H)	111.6800	0.000	1	111.6800	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNO)(H)	109.6750	0.000	1	109.6750	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	111.1267	2.178	3	111.1267	4.744	3	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCFH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCFH)(CCHN)(H)2	N(CCCH)(COO)(H)	113.1896	1.099	5	113.1896	1.209	5	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	112.7903	1.494	18	112.7903	2.233	18	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNN)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNN)(H)	113.3002	1.351	5	113.3002	1.826	5	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	108.3153	0.688	3	108.3153	0.474	3	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.9210	0.771	2	110.9210	0.594	2	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCHO)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCHO)(H)2	N(CCCH)(COO)(H)	113.5110	0.000	1	113.5110	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCO)(H)	109.7677	0.752	3	109.7677	0.565	3	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CCO)(H)	111.6732	0.423	8	111.6732	0.179	8	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CNN)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CNN)(H)	111.0235	0.070	2	111.0235	0.005	2	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CC[5]HH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CC[5]HH)(CCHN)(H)2	N(CCCH)(COO)(H)	111.3850	0.000	1	111.3850	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.8970	0.683	3	110.8970	0.466	3	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CNO)(H)	110.5380	0.000	1	110.5380	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CP[5]HH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CP[5]HH)(CCHN)(H)2	N(CCCH)(COO)(H)	111.9110	0.000	1	111.9110	0.000	1	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COS)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COS)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.2345	0.948	2	110.2345	0.899	2	110.8725	3.123	281	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:I-1:	C-4:C-3:H-1:	C(CCHI)(CNO)(NCH)(H)	C(CCHN)(CCHO)(H)(I)	N(CCCH)(COO)(H)	C(CCHI)(CNO)(NCH)(H)	C(CCHN)(CCHO)(H)(I)	N(CCCH)(COO)(H)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:O-1:	C-4:C-3:H-1:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)(O)	N(CCCH)(CCO)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)(O)	N(CCCH)(CCO)(H)	113.8070	0.000	1	113.8070	0.000	1	113.8070	0.000	1	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5,6]HH)(CNO)(NCH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[5,6]HH)(CNO)(NCH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	N(CCCH)(COO)(H)	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]O[5]H)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]O[5]H)(CCHN)(H)2	N(CCCH)(CNO)(H)	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2F)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2F)(CCHN)(H)2	N(CCCH)(COO)(H)	112.3610	0.000	1	112.3610	0.000	1	111.0645	3.103	4	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2O)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2O)(CCHN)(H)2	N(CCCH)(CCO)(H)	108.4620	0.000	1	108.4620	0.000	1	111.0645	3.103	4	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2Ru)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2Ru)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.7175	0.033	2	111.7175	0.001	2	111.0645	3.103	4	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:N-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)2(H)	C(CCCH)(CHNN)(H)2	N(CCHN)(CNO)(H)	C(CCHH)(NCH)2(H)	C(CCCH)(CHNN)(H)2	N(CCHN)(CNO)(H)	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	110.8813	3.114	291	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:3:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(COO)(NCC)(H)	C(CCCF)(CCHN)(H)2	N(CCCH)(CCO)(COO)	C(CCHH)(COO)(NCC)(H)	C(CCCF)(CCHN)(H)2	N(CCCH)(CCO)(COO)	115.1200	0.000	1	115.1200	0.000	1	114.7883	0.111	3	114.7883	0.111	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:3:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(COO)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(COO)	C(CCHH)(COO)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(COO)	114.6225	0.237	2	114.6225	0.056	2	114.7883	0.111	3	114.7883	0.111	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	111.2160	4.447	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CCHH)(COO)(NHP)(H)	C(CCCH)(CCHN)(H)2	N(PRhOO)(CCCH)(H)	C(CCHH)(COO)(NHP)(H)	C(CCCH)(CCHN)(H)2	N(PRhOO)(CCCH)(H)	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	111.2160	4.447	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(COO)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	112.3205	0.228	2	112.3205	0.052	2	110.7733	7.207	3	111.2160	4.447	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CHHS)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CHHS)(H)2	N(SC[6a]OO)(CCCH)(H)	107.6790	0.000	1	107.6790	0.000	1	110.7733	7.207	3	111.2160	4.447	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CNO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	C(CCHH)(CNO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	111.8007	0.995	3	111.8007	0.990	3	112.0111	1.175	8	112.0111	1.175	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	112.5300	0.308	2	112.5300	0.095	2	112.0111	1.175	8	112.0111	1.175	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CCHH)(CCO)	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(CCHH)(CCO)	110.0290	0.000	1	110.0290	0.000	1	112.0111	1.175	8	112.0111	1.175	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(CCO)	112.7990	0.557	2	112.7990	0.310	2	112.0111	1.175	8	112.0111	1.175	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(COO)(NCS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCHH)(COO)(NCS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	111.2450	0.000	1	111.2450	0.000	1	112.5233	2.011	3	112.5233	2.011	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)2	112.2760	0.000	1	112.2760	0.000	1	112.5233	2.011	3	112.5233	2.011	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CHHN)(H)2	N(SC[6a]OO)(CCCH)2	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CHHN)(H)2	N(SC[6a]OO)(CCCH)2	114.0490	0.000	1	114.0490	0.000	1	112.5233	2.011	3	112.5233	2.011	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CC[5]O)(CCCH)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CC[5]O)(CCCH)(H)	113.2625	0.713	2	113.2625	0.509	2	113.3577	0.282	3	113.3577	0.282	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CN[6]O)(CCCH)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CN[6]O)(CCCH)(H)	113.5480	0.000	1	113.5480	0.000	1	113.3577	0.282	3	113.3577	0.282	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(CCH)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	C(CCHO)(CCH)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	111.1400	0.000	1	111.1400	0.000	1	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(CCO)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(CCO)(H)	111.8775	3.290	2	111.8775	10.825	2	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(COO)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(COO)(H)	110.6460	0.000	1	110.6460	0.000	1	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(CCO)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(CCO)(H)	107.9380	0.000	1	107.9380	0.000	1	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OS)(H)	N(CCCH)(CCO)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OS)(H)	N(CCCH)(CCO)(H)	111.8090	1.189	2	111.8090	1.415	2	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(CCO)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	N(CCCH)(CCO)(H)	111.7900	1.071	2	111.7900	1.146	2	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(CCO)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(CCO)(H)	111.6757	1.392	6	111.6757	1.938	6	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(COO)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(COO)(H)	108.4848	0.587	4	108.4848	0.344	4	110.7721	3.599	19	110.7721	3.599	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-2:Cl-1:	S-4:C-4:H-1:	C(CClCC)(CNO)(NHS)(H)	C(CCHN)(CH3)(CC)(Cl)	N(SC[6a]OO)(CCCH)(H)	C(CClCC)(CNO)(NHS)(H)	C(CCHN)(CH3)(CC)(Cl)	N(SC[6a]OO)(CCCH)(H)	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:C-4:	C(CCHO)(COO)(NCS)(H)	C(CCHN)(CH3)(OC)(H)	N(SC[6a]OO)(CCCH)(CCHH)	C(CCHO)(COO)(NCS)(H)	C(CCHN)(CH3)(OC)(H)	N(SC[6a]OO)(CCCH)(CCHH)	112.7660	0.714	2	112.7660	0.510	2	112.7660	0.510	2	112.7660	0.510	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:2:2:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:O-2:	C-3:C-4:H-1:	C(CCOO)(COO)(NCH)(H)	C(CCHN)(CF3)(OH)2	N(CC[6a]O)(CCCH)(H)	C(CCOO)(COO)(NCH)(H)	C(CCHN)(CF3)(OH)2	N(CC[6a]O)(CCCH)(H)	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)(CCO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)(CCO)(H)	N(CCCH)(CCO)(H)	111.0900	0.000	1	111.0900	0.000	1	110.6170	0.447	2	110.6170	0.447	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	N(CCCH)(CCO)(H)	110.1440	0.000	1	110.1440	0.000	1	110.6170	0.447	2	110.6170	0.447	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:3:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCCH)(CCN)(NCC)(H)	C(CCHN)(CC3)(CCH)(H)	N(CCCH)(CCH)(CCO)	C(CCCH)(CCN)(NCC)(H)	C(CCHN)(CC3)(CCH)(H)	N(CCCH)(CCH)(CCO)	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:3:4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-3:C-4:	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CC[6a]S)(CCCH)	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CC[6a]S)(CCCH)	114.5600	0.000	1	114.5600	0.000	1	114.5600	0.000	1	114.5600	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[5a]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[5a]O)(CCCH)(H)	110.8650	0.931	3	110.8650	0.867	3	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[3]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[3]O)(CCCH)(H)	110.6355	0.986	2	110.6355	0.973	2	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[4]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[4]O)(CCCH)(H)	111.7430	2.373	2	111.7430	5.631	2	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	111.0550	2.022	11	111.0550	4.087	11	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5a]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5a]O)(CCCH)(H)	109.4230	0.670	2	109.4230	0.449	2	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6]H)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6]H)(CCCH)(H)	110.5480	0.000	1	110.5480	0.000	1	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6]O)(CCCH)(H)	112.4415	0.751	4	112.4415	0.564	4	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	109.9382	1.526	5	109.9382	2.328	5	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CSiHH)(CCHH)(CCHN)(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CSiHH)(CCHH)(CCHN)(H)	N(CC[6a]O)(CCCH)(H)	111.5300	0.000	1	111.5300	0.000	1	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]C[6])(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]C[6])(CCCH)(H)	109.4810	0.308	2	109.4810	0.095	2	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	110.2800	0.583	4	110.2800	0.340	4	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[3]O)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[3]O)(CCCH)(H)	109.0020	0.000	1	109.0020	0.000	1	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	112.0242	1.402	10	112.0242	1.964	10	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5a]O)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5a]O)(CCCH)(H)	113.8120	0.000	1	113.8120	0.000	1	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6]O)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6]O)(CCCH)(H)	112.6785	1.227	2	112.6785	1.505	2	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	111.6821	1.260	8	111.6821	1.587	8	111.2083	2.566	59	111.2083	2.566	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-3:	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(COO)	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(COO)	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:1:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:	C(CCCH)(CNO)(NHH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)2	C(CCCH)(CNO)(NHH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)2	110.9900	0.188	2	110.9900	0.035	2	110.9900	0.035	2	110.9900	0.035	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	112.6010	0.000	2	112.6010	0.000	2	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	111.8870	0.000	1	111.8870	0.000	1	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	112.0250	0.000	1	112.0250	0.000	1	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	109.2230	0.000	1	109.2230	0.000	1	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	111.4689	1.868	16	111.4689	3.488	16	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	112.3123	1.385	3	112.3123	1.917	3	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCC)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCC)(H)	110.5550	0.932	2	110.5550	0.869	2	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	111.0795	1.412	33	111.0795	1.994	33	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	110.5320	2.826	2	110.5320	7.984	2	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	111.3377	1.251	10	111.3377	1.564	10	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	111.4968	1.501	21	111.4968	2.254	21	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	111.3351	1.499	74	111.3351	2.248	74	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNN)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNN)(H)	109.7520	0.000	1	109.7520	0.000	1	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	113.1120	0.000	1	113.1120	0.000	1	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNS)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNS)(H)	109.2090	0.000	1	109.2090	0.000	1	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	C(CCCH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	113.3200	0.000	1	113.3200	0.000	1	111.3269	2.266	170	111.3269	2.266	170	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:H-1:	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SNOO)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SNOO)(H)	108.5930	0.000	1	108.5930	0.000	1	109.6560	2.260	2	110.8420	2.510	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SO3)(H)	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SO3)(H)	110.7190	0.000	1	110.7190	0.000	1	109.6560	2.260	2	110.8420	2.510	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	112.3025	0.633	2	112.3025	0.401	2	111.6327	1.546	3	110.8420	2.510	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	110.2930	0.000	1	110.2930	0.000	1	111.6327	1.546	3	110.8420	2.510	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CCH)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	C(CCCH)(CCH)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	112.8840	0.000	1	112.8840	0.000	1	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CH3)(CCO)	C(CCCH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CH3)(CCO)	114.3890	0.000	1	114.3890	0.000	1	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CF3)2(H)	N(CCCH)2(CNO)	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CF3)2(H)	N(CCCH)2(CNO)	114.0330	0.363	2	114.0330	0.132	2	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	113.0760	0.444	2	113.0760	0.197	2	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CHO)	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CHO)	112.3007	0.917	3	112.3007	0.840	3	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(COO)(NCC)(H)	C(CCHH)(CCHN)(CHHO)(H)	N(CC[6a]HH)(CCCH)(CCO)	C(CCCH)(COO)(NCC)(H)	C(CCHH)(CCHN)(CHHO)(H)	N(CC[6a]HH)(CCCH)(CCO)	114.9820	0.430	2	114.9820	0.185	2	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(CCO)	112.4860	0.335	2	112.4860	0.112	2	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(CCO)	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(CCO)	113.8900	0.000	1	113.8900	0.000	1	113.3728	1.161	14	113.3728	1.161	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CC3)(CNO)(NCH)(H)	C(CCHN)(CH3)3	N(CC[5]O)(CCCH)(H)	C(CC3)(CNO)(NCH)(H)	C(CCHN)(CH3)3	N(CC[5]O)(CCCH)(H)	112.4800	0.000	1	112.4800	0.000	1	112.0445	0.379	2	112.0445	0.379	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CC3)(COO)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]O)(CCCH)(H)	C(CC3)(COO)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]O)(CCCH)(H)	111.6090	0.000	1	111.6090	0.000	1	112.0445	0.379	2	112.0445	0.379	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(CNO)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNO)(H)	C(CC3)(CNO)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNO)(H)	112.4790	0.643	2	112.4790	0.414	2	112.3514	0.127	5	112.3514	0.127	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(COO)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CCO)(H)	C(CC3)(COO)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CCO)(H)	112.2663	0.141	3	112.2663	0.020	3	112.3514	0.127	5	112.3514	0.127	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:H-1:	C(CC3)(COO)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	C(CC3)(COO)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CCHH)(CCO)	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CCHH)(CCO)	113.7660	0.000	1	113.7660	0.000	1	113.5470	0.584	3	113.5470	0.584	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CH3)(CCO)	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CH3)(CCO)	112.6970	0.000	1	112.6970	0.000	1	113.5470	0.584	3	113.5470	0.584	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CH3)(CHO)	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CH3)(CHO)	114.1780	0.000	1	114.1780	0.000	1	113.5470	0.584	3	113.5470	0.584	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:2:	4:4:2:1:	4:3:1:	C-4:C-3:N-3:S-2:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(COO)(NCH)(SC)	C(CCNS)(CH3)(OH)(H)	N(CCCS)(CCO)(H)	C(CCHO)(COO)(NCH)(SC)	C(CCNS)(CH3)(OH)(H)	N(CCCS)(CCO)(H)	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	2:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	O-2:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(NOO)3	C(OC[6a])(CN3)(H)2	N(CCNN)(O)2	C(CHHO)(NOO)3	C(OC[6a])(CN3)(H)2	N(CCNN)(O)2	111.1777	2.195	3	111.1777	4.820	3	111.1777	4.820	3	111.1777	4.820	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	3:4:1:1:	3:4:1:	C-4:C-3:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCH)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCH)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	112.2195	0.643	2	112.2195	0.413	2	112.2195	0.413	2	112.2195	0.413	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	3:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	N-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)3	C(NC[5a]H)(CN3)(H)2	N(CCNN)(O)2	C(CHHN)(NOO)3	C(NC[5a]H)(CN3)(H)2	N(CCNN)(O)2	112.0448	1.078	27	112.0448	1.162	27	112.0998	1.393	51	112.1019	1.498	54	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	3:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	N-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)3	C(NC[5a]N)(CN3)(H)2	N(CCNN)(O)2	C(CHHN)(NOO)3	C(NC[5a]N)(CN3)(H)2	N(CCNN)(O)2	111.9423	2.095	3	111.9423	4.390	3	112.0998	1.393	51	112.1019	1.498	54	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	3:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	N-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)3	C(NN[5a]H)(CN3)(H)2	N(CCNN)(O)2	C(CHHN)(NOO)3	C(NN[5a]H)(CN3)(H)2	N(CCNN)(O)2	112.1930	1.232	21	112.1930	1.517	21	112.0998	1.393	51	112.1019	1.498	54	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	3:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	N[5a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CN[5a]HH)(NOO)3	C(N[5a]C[5a]N[5a])(CN3)(H)2	N(CCNN)(O)2	C(CN[5a]HH)(NOO)3	C(N[5a]C[5a]N[5a])(CN3)(H)2	N(CCNN)(O)2	112.1373	2.207	3	112.1373	4.872	3	112.1373	4.872	3	112.1019	1.498	54	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	3:4:1:1:	4:3:1:	C-4:C-3:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CNO)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CCO)(H)	C(CC[6a]HH)(CNO)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CCO)(H)	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:1:1:1:	4:1:1:	C-4:C-3:N-3:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CH3)(COO)(NCN)(NOO)	C(CCNN)(H)3	N(CCCN)(O)2	C(CH3)(COO)(NCN)(NOO)	C(CCNN)(H)3	N(CCCN)(O)2	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:1:1:1:	4:3:3:	C-4:C-3:N-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:	C(CH3)(COO)(NCN)(NOO)	C(CCNN)(H)3	N(CCCN)(COO)(NCH)	C(CH3)(COO)(NCN)(NOO)	C(CCNN)(H)3	N(CCCN)(COO)(NCH)	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:2:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	C-4:N-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)3	C(CN3)(NC)(H)2	N(CCNN)(O)2	C(CHHN)(NOO)3	C(CN3)(NC)(H)2	N(CCNN)(O)2	111.6733	2.490	3	111.6733	6.202	3	111.6733	6.202	3	111.8611	2.602	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:2:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(NOO)3	C(CN3)(OC)(H)2	N(CCNN)(O)2	C(CHHO)(NOO)3	C(CN3)(OC)(H)2	N(CCNN)(O)2	111.8453	1.668	30	111.8453	2.781	30	111.8768	2.467	36	111.8611	2.602	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:2:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(NOO)3	C(CN3)(OH)(H)2	N(CCNN)(O)2	C(CHHO)(NOO)3	C(CN3)(OH)(H)2	N(CCNN)(O)2	112.0342	1.050	6	112.0342	1.103	6	111.8768	2.467	36	111.8611	2.602	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:3:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)(NOO)3	C(CN3)(NCH)(H)2	N(CCNN)(O)2	C(CHHN)(NOO)3	C(CN3)(NCH)(H)2	N(CCNN)(O)2	112.0671	1.167	12	112.0671	1.363	12	112.0671	1.363	12	112.0671	1.363	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:3:1:1:	4:3:1:	C-4:C-3:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)2(NCH)	C(CCCN)(CCC)(H)2	N(CC3)(CCO)(H)	C(CCHH)(COO)2(NCH)	C(CCCN)(CCC)(H)2	N(CC3)(CCO)(H)	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NOO)3	C(CCHH)(CN3)(H)2	N(CCNN)(O)2	C(CCHH)(NOO)3	C(CCHH)(CN3)(H)2	N(CCNN)(O)2	112.6615	1.659	21	112.6615	2.754	21	112.8124	2.975	36	112.8124	2.975	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NOO)3	C(CHHN)(CN3)(H)2	N(CCNN)(O)2	C(CCHH)(NOO)3	C(CHHN)(CN3)(H)2	N(CCNN)(O)2	112.9213	1.443	12	112.9213	2.082	12	112.8124	2.975	36	112.8124	2.975	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:4:1:1:	4:1:1:	C-4:N-3:N-3:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NOO)3	C(CN[5a]HH)(CN3)(H)2	N(CCNN)(O)2	C(CCHH)(NOO)3	C(CN[5a]HH)(CN3)(H)2	N(CCNN)(O)2	113.4330	3.491	3	113.4330	12.185	3	112.8124	2.975	36	112.8124	2.975	36	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:4:1:1:	4:3:1:	C-4:C-3:C-3:N-3:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(CHH)2(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	N(CC3)(COO)(H)	C(CC[6]HH)(CHH)2(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	N(CC3)(COO)(H)	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:3:3:	4:4:2:1:	4:4:3:	C-4:C-3:C-3:N-3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(CCO)(COO)(NCC)	C(CCCH)(CCCN)(OSi)(H)	N(CC[6a]HH)(CC3)(CCO)	C(CCHO)(CCO)(COO)(NCC)	C(CCCH)(CCCN)(OSi)(H)	N(CC[6a]HH)(CC3)(CCO)	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	3:3:4:1:	3:4:1:	C-4:N-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	N(C[6a]C[6a]2)(CCCH)(H)	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	3:4:1:1:	3:4:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[3]-3:C-4:H-1:	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[3]C[3]2)(CCCH)(H)	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[3]C[3]2)(CCCH)(H)	109.0460	0.000	2	109.0460	0.000	2	109.0460	0.000	2	110.4428	2.881	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	3:4:1:1:	3:4:1:	C-4:N-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(N[5]C[5,5]C[5])(CCHN)(H)2	N(C[5]C[5,6a]C[5])(CCCH)(H)	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(N[5]C[5,5]C[5])(CCHN)(H)2	N(C[5]C[5,6a]C[5])(CCCH)(H)	112.9660	0.000	1	112.9660	0.000	1	112.9660	0.000	1	110.4428	2.881	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	3:4:1:1:	3:4:1:	C-4:N-3:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(C[6a]C[6a]2)(CCHP)(H)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(C[6a]C[6a]2)(CCHP)(H)	110.5780	1.105	2	110.5780	1.220	2	110.5780	1.220	2	110.4428	2.881	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	3:4:2:1:	3:4:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:C-4:H-1:	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(C[6]C[6]2)(CCCH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(C[6]C[6]2)(CCCH)(H)	110.6540	1.134	2	110.6540	1.286	2	110.6540	1.286	2	110.6540	1.286	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	3:4:3:1:	3:4:3:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	N[5]-3:C-4:C-3:	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(N[5]C[5]2)(CCCH)(CCO)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(N[5]C[5]2)(CCCH)(CCO)	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	3:4:3:1:	4:4:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	114.1060	0.000	1	114.1060	0.000	1	114.1060	0.000	1	114.1060	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:3:4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:4:1:	C-4:N-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(CCHN)(F)3	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(CCHN)(F)3	N(C[6a]C[6a]2)(CCCH)(H)	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	110.9554	0.466	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:4:1:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(CCHN)(H)3	N(C[5]C[5,6a]C[5])(CCCH)(H)	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(CCHN)(H)3	N(C[5]C[5,6a]C[5])(CCCH)(H)	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.9554	0.466	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:4:1:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2)(CCCH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2)(CCCH)(H)	111.4450	0.619	2	111.4450	0.384	2	111.4450	0.384	2	110.9554	0.466	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C(CC[5]HN)(H)3	N(C[6a]C[6a]2)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C(CC[5]HN)(H)3	N(C[6a]C[6a]2)(CC[5]CH)(H)	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	110.9554	0.466	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:4:3:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-3:	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(CCHN)(H)3	N(N[5]C[5]2)(CCCH)(CCO)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(CCHN)(H)3	N(N[5]C[5]2)(CCCH)(CCO)	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C(CC[6]HN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C(CC[6]HN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	4:4:1:	C-4:N-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C[5]-4:C-4:H-1:	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(CCHN)(F)3	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(CCHN)(F)3	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:1:1:1:	4:4:4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:S-4:C-4:	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(CCHN)(H)3	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(CCHN)(H)3	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:2:1:1:	3:4:1:	C-4:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[3]-3:C-4:H-1:	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[3]C[3]2)(CCCH)(H)	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[3]C[3]2)(CCCH)(H)	111.4080	0.000	2	111.4080	0.000	2	111.4080	0.000	2	111.4080	0.000	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:3:1:1:	3:4:3:	C[6]-4:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	C(CC[6]HN)(CCH)(H)2	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	C(CC[6]HN)(CCH)(H)2	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:4:1:1:	3:3:4:	C-4:N-3:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:4:1:1:	4:4:4:	C-4:N-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S-4:C-4:	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	113.7470	0.000	1	113.7470	0.000	1	113.7470	0.000	1	113.7470	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:1:	4:4:3:1:	3:4:1:	C[6]-4:N-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	N(C[6a]C[6a]2)(CC[6]CH)(H)	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:3:	4:1:1:1:	3:4:1:	C[5]-4:N-3:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	C(CC[5]CN)(H)3	N(C[6a]C[6a]2)(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	C(CC[5]CN)(H)3	N(C[6a]C[6a]2)(CC[5]CC)(H)	112.6720	0.000	1	112.6720	0.000	1	112.6720	0.000	1	112.6720	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C(CC[6]CN)(H)3	N(C[6a]C[6a]2)(CC[6]CC)(H)	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C(CC[6]CN)(H)3	N(C[6a]C[6a]2)(CC[6]CC)(H)	106.4670	0.122	2	106.4670	0.015	2	106.4670	0.015	2	106.4670	0.015	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CC[6a]N)(CCCH)(H)	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CC[6a]N)(CCCH)(H)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(CCO)(H)	110.3040	0.000	1	110.3040	0.000	1	109.8857	0.383	3	110.2535	0.796	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(COO)(H)	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(COO)(H)	109.6765	0.709	2	109.6765	0.503	2	109.8857	0.383	3	110.2535	0.796	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	N(CCCH)(CCO)(H)	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	110.2535	0.796	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(OC[3])(CCHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCCH)	C(CCHH)(CHHO)(NCC)(H)	C(OC[3])(CCHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCCH)	109.1255	0.052	2	109.1255	0.003	2	109.1255	0.003	2	109.1255	0.003	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(CF3)(NCC)(H)	C(OC[6a])(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCO)	C(CHHO)(CF3)(NCC)(H)	C(OC[6a])(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCO)	113.8680	0.313	4	113.8680	0.098	4	113.8680	0.098	4	113.8680	0.098	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	S-2:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHS)(NCH)(H)	C(SN[5])(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHS)(NCH)(H)	C(SN[5])(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	2:4:4:2:	4:4:1:	C-4:C-4:N-3:H-1:	O-2:C-4:C-4:C-2:	S-4:C-4:H-1:	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	111.5893	0.330	3	111.5893	0.109	3	111.5893	0.109	3	111.5893	0.109	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:2:4:1:	3:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-3:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	N(CC[3]O)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	N(CC[3]O)(CCCH)(CH3)	110.4707	0.476	3	110.4707	0.227	3	110.4707	0.227	3	110.4707	0.227	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:2:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	N(CCCH)(O)2	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.5615	5.508	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:2:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	N(CCCH)(O)2	108.5937	2.873	3	108.5937	8.256	3	108.5937	8.256	3	108.5615	5.508	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:1:1:	C-4:C-4:N-3:Cl-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	N(CClCC)(O)2	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	N(CClCC)(O)2	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	109.4296	3.219	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(O)2	108.1270	0.347	3	108.1270	0.120	3	108.1270	0.120	3	109.4296	3.219	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(O)2	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(O)2	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.4296	3.219	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	N(CCCH)(O)2	110.1515	1.387	2	110.1515	1.923	2	110.1515	1.923	2	109.4296	3.219	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	N(CCCH)(O)2	109.7285	0.282	2	109.7285	0.080	2	108.8893	2.152	3	109.4296	3.219	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	N(CCCH)(O)2	107.2110	0.000	1	107.2110	0.000	1	108.8893	2.152	3	109.4296	3.219	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(CCO)(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(CCO)(H)	108.7590	0.000	1	108.7590	0.000	1	107.4825	0.798	4	107.4825	0.798	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(CCO)(H)	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(CCO)(H)	107.0570	0.332	3	107.0570	0.110	3	107.4825	0.798	4	107.4825	0.798	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:2:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-3:C-4:H-1:	C(CC[6a]2O)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CC[5]O)(CCCH)(H)	C(CC[6a]2O)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CC[5]O)(CCCH)(H)	110.1713	2.411	3	110.1713	5.813	3	110.1713	5.813	3	110.1713	5.813	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:3:4:2:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-3:H-1:	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CCCH)(CCO)(H)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CCCH)(CCO)(H)	109.5225	2.014	4	109.5225	4.058	4	109.5225	4.058	4	109.5225	4.058	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	109.5250	0.000	1	109.5250	0.000	1	109.9726	1.063	15	109.9726	1.063	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCCO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	C(CC[6a]HH)(CCCO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	109.2620	0.000	1	109.2620	0.000	1	109.9726	1.063	15	109.9726	1.063	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.6085	0.869	4	110.6085	0.755	4	109.9726	1.063	15	109.9726	1.063	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CClHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(CC[6a]HH)(CClHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	109.3330	0.414	3	109.3330	0.172	3	109.9726	1.063	15	109.9726	1.063	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5,5,6]O)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5,5,6]O)(CCCH)(H)	112.0010	0.000	1	112.0010	0.000	1	109.9726	1.063	15	109.9726	1.063	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6]H)(CCCH)(H)	109.1520	0.924	3	109.1520	0.854	3	109.9726	1.063	15	109.9726	1.063	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.4560	0.639	2	110.4560	0.409	2	109.9726	1.063	15	109.9726	1.063	15	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(CC3)(NOO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(O)2	C(CC[5a]HH)(CC3)(NOO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(O)2	108.7890	0.000	1	108.7890	0.000	1	108.4280	0.261	2	108.9167	0.823	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	N(CCCH)(O)2	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	N(CCCH)(O)2	108.0670	0.000	1	108.0670	0.000	1	108.4280	0.261	2	108.9167	0.823	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(CCCN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(O)2	C(CC[6a]HH)(CCCN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(O)2	109.7860	0.000	1	109.7860	0.000	1	109.4400	1.102	3	108.9167	0.823	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(O)2	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(O)2	108.2610	0.000	1	108.2610	0.000	1	109.4400	1.102	3	108.9167	0.823	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(CHHN)(NOO)(H)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	N(CCCH)(O)2	C(CC[6a]HH)(CHHN)(NOO)(H)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	N(CCCH)(O)2	110.2730	0.000	1	110.2730	0.000	1	109.4400	1.102	3	108.9167	0.823	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(CHHN)(NOO)(H)	C(NC[6a]C)(CCHN)(H)2	N(CCCH)(O)2	C(CC[6a]HH)(CHHN)(NOO)(H)	C(NC[6a]C)(CCHN)(H)2	N(CCCH)(O)2	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.9167	0.823	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.7650	0.000	1	111.7650	0.000	1	111.1143	0.382	3	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(NCH)(H)	C(CC[5,6]O)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)2(NCH)(H)	C(CC[5,6]O)(CCHN)(H)2	N(CCCH)(COO)(H)	110.7890	0.359	2	110.7890	0.129	2	111.1143	0.382	3	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(CF3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CCHH)(CF3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(SCO)(H)	110.4450	0.293	2	110.4450	0.086	2	110.4450	0.086	2	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(COO)(H)	110.1845	0.759	2	110.1845	0.576	2	110.7053	1.102	3	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[5a]N[5a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[5a]N[5a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.7470	0.000	1	111.7470	0.000	1	110.7053	1.102	3	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	106.8980	0.000	1	106.8980	0.000	1	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	109.5430	0.000	1	109.5430	0.000	1	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.9430	0.000	1	110.9430	0.000	1	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.1318	0.711	18	110.1318	0.506	18	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	111.0872	0.627	4	111.0872	0.393	4	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.5872	0.850	6	110.5872	0.723	6	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	109.9137	1.123	6	109.9137	1.262	6	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	109.9040	0.700	2	109.9040	0.490	2	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)(H)	110.6070	1.502	15	110.6070	2.255	15	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	110.9635	0.610	2	110.9635	0.372	2	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.3703	0.726	3	110.3703	0.527	3	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	109.2590	0.000	1	109.2590	0.000	1	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	111.1990	0.000	1	111.1990	0.000	1	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CPdOO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CPdOO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)(H)	113.6890	0.000	1	113.6890	0.000	1	110.3743	1.406	62	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]HH)(CC3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CC[6a]HH)(CC3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCO)(H)	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:S-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	N(CCHS)(COO)(H)	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	N(CCHS)(COO)(H)	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(CNO)(H)	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(CNO)(H)	110.4085	0.292	2	110.4085	0.085	2	109.3627	0.994	7	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(CNS)(H)	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(CNS)(H)	108.2660	0.605	2	108.2660	0.366	2	109.3627	0.994	7	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(COO)(H)	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(COO)(H)	108.6370	0.000	1	108.6370	0.000	1	109.3627	0.994	7	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(COO)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(COO)(H)	109.6190	0.000	1	109.6190	0.000	1	109.3627	0.994	7	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(CCO)(H)	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(CC[5]CH)(CCO)(H)	109.9340	0.000	1	109.9340	0.000	1	109.3627	0.994	7	110.3051	1.555	79	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCCH)(CHHN)(NCC)(H)	C(NC[3]C)(CCHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCCH)	C(CCCH)(CHHN)(NCC)(H)	C(NC[3]C)(CCHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCCH)	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	110.8399	0.676	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	S-4:C-4:H-1:	C(CC[6a]FH)(CCFH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(SC[6a]OO)(CCCH)(H)	109.9040	0.785	2	109.9040	0.616	2	110.2873	0.589	4	110.8399	0.676	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	S-4:C-4:H-1:	C(CC[6a]FH)(CFHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]FH)(CFHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(SC[6a]OO)(CCCH)(H)	110.6705	0.750	2	110.6705	0.563	2	110.2873	0.589	4	110.8399	0.676	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:P-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(PCOO)(NHS)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(SC[6a]OO)(CCHP)(H)	C(CC[6a]HH)(PCOO)(NHS)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(SC[6a]OO)(CCHP)(H)	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	110.8399	0.676	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[3]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[3]HN)(H)2	N(SC[6a]OO)(CC[3]CH)(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[3]HN)(H)2	N(SC[6a]OO)(CC[3]CH)(H)	111.1875	0.187	2	111.1875	0.035	2	111.1875	0.035	2	110.8399	0.676	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:	C(CC[5a]HH)(CH3)(NCN)(H)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	N(CCCH)(CH3)(NC)	C(CC[5a]HH)(CH3)(NCN)(H)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	N(CCCH)(CH3)(NC)	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:S-4:C-4:	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	112.1167	0.928	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	112.7165	1.073	2	112.7165	1.151	2	112.7165	1.151	2	112.1167	0.928	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(SC[6a]OO)(CC[5]CH)(CCHH)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(SC[6a]OO)(CC[5]CH)(CCHH)	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	112.1167	0.928	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HO)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CC[6a]O)(CCCH)(H)	109.7750	0.000	1	109.7750	0.000	1	107.1385	2.403	6	107.1385	2.403	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6]H)(CCCH)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6]H)(CCCH)(H)	106.3625	0.901	4	106.3625	0.812	4	107.1385	2.403	6	107.1385	2.403	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	107.6060	0.000	1	107.6060	0.000	1	107.1385	2.403	6	107.1385	2.403	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	3:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(CH3)	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-1:O-1:	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(O)2	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(O)2	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	108.3360	0.535	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:O-1:O-1:	C(CC[6a]HS)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	N(CCCH)(O)2	C(CC[6a]HS)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	N(CCCH)(O)2	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.3360	0.535	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[5]O)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[5]O)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	110.3105	0.421	2	110.3105	0.177	2	110.3105	0.177	2	110.8663	0.748	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	N(CCCH)(COO)(H)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	N(CCCH)(COO)(H)	110.5730	0.143	2	110.5730	0.020	2	110.5730	0.020	2	110.8663	0.748	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CCCH)(CCO)(H)	112.7430	0.000	1	112.7430	0.000	1	111.2908	1.176	4	110.8663	0.748	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CCCH)(CCO)(H)	110.8067	0.598	3	110.8067	0.357	3	111.2908	1.176	4	110.8663	0.748	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	S-4:C-4:H-1:	C(CC[6a]HN)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HN)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(SC[6a]OO)(CCCH)(H)	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-3:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(CH3)(NCC)(H)	C(CC[5a]O)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(COO)	C(CCHO)(CH3)(NCC)(H)	C(CC[5a]O)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(COO)	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	111.2195	2.439	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:3:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CCCH)(CH3)(CCO)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CCCH)(CH3)(CCO)	112.0925	0.815	4	112.0925	0.664	4	111.4234	2.737	5	111.2195	2.439	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:3:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(CCO)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(CCO)	108.7470	0.000	1	108.7470	0.000	1	111.4234	2.737	5	111.2195	2.439	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(PC[6a]C[5]B)(CCCH)(CH3)	111.0510	0.000	1	111.0510	0.000	1	112.2535	1.293	4	112.2535	1.293	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(PC[6a]2B)(CCCH)(CH3)	112.1960	0.832	2	112.1960	0.691	2	112.2535	1.293	4	112.2535	1.293	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	N(PC[6a]2Ru)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	N(PC[6a]2Ru)(CCCH)(CH3)	113.5710	0.000	1	113.5710	0.000	1	112.2535	1.293	4	112.2535	1.293	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:2:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	S-4:C-4:C-4:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	N(SC[6a]OO)(CCCH)(CCHH)	112.1965	0.213	2	112.1965	0.045	2	112.5460	0.207	4	112.5460	0.207	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:2:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	S-4:C-4:C-4:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	N(SC[6a]OO)(CCCH)(CCHH)	113.1040	0.000	1	113.1040	0.000	1	112.5460	0.207	4	112.5460	0.207	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:2:2:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	S-4:C-4:C-4:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	N(SC[6a]OO)(CCCH)(CCHH)	112.6870	0.000	1	112.6870	0.000	1	112.5460	0.207	4	112.5460	0.207	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-3:C-4:N-3:H-1:	C-3:C-4:H-1:	C(CCHN)(CH3)(NCH)(H)	C(CN[6]O)(CCHN)(NCH)(H)	N(CC[6]O)(CCCH)(H)	C(CCHN)(CH3)(NCH)(H)	C(CN[6]O)(CCHN)(NCH)(H)	N(CC[6]O)(CCCH)(H)	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	108.8320	2.604	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-3:C-4:H-1:	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CC[6a]O)(CCCH)(H)	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	108.8320	2.604	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:Cl-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	N(CClCC)(O)2	C(CC[6a]HN)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	N(CClCC)(O)2	105.9200	0.000	2	105.9200	0.000	2	105.9200	0.000	2	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5]-3:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(CH3)(NOO)(H)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	N(CCCH)(O)2	C(CC[5]CH)(CH3)(NOO)(H)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	N(CCCH)(O)2	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CC[5a]CH)(CH3)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	N(CCCH)(O)2	C(CC[5a]CH)(CH3)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	N(CCCH)(O)2	105.9200	0.000	1	105.9200	0.000	1	105.9200	0.000	1	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	N(CCCH)(O)2	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	N(CCCH)(O)2	105.7130	0.000	1	105.7130	0.000	1	107.6234	4.156	7	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	N(CCCH)(O)2	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	N(CCCH)(O)2	105.2590	0.000	1	105.2590	0.000	1	107.6234	4.156	7	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CCCH)(O)2	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CCCH)(O)2	108.0753	0.785	3	108.0753	0.616	3	107.6234	4.156	7	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	N(CCCH)(O)2	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	N(CCCH)(O)2	111.2730	0.000	1	111.2730	0.000	1	107.6234	4.156	7	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CCCH)(O)2	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CCCH)(O)2	106.8930	0.000	1	106.8930	0.000	1	107.6234	4.156	7	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[3]-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:O-1:O-1:	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	N(CC[3]CH)(O)2	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	N(CC[3]CH)(O)2	110.2135	0.151	2	110.2135	0.023	2	110.2135	0.023	2	107.5700	3.969	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:S-3:H-1:	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	N(CCCH)(SCO)(H)	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	N(CCCH)(SCO)(H)	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.5361	7.399	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	110.5361	7.399	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(CCO)(H)	112.3660	1.246	4	112.3660	1.553	4	112.3660	1.553	4	110.5361	7.399	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(CH3)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N(CCCH)(CCO)(H)	C(CN[5]CH)(CH3)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N(CCCH)(CCO)(H)	108.3507	3.636	3	108.3507	13.224	3	108.3507	13.224	3	110.5361	7.399	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	S-4:C-4:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	N(SC[6a]OO)(CCCH)(H)	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	111.4993	10.887	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CC[6a]CH)(CCCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CC[6a]CH)(CCCH)(H)	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	111.4993	10.887	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:4:1:	C-4:C-4:N-3:H-1:	N-3:C-4:C-3:H-1:	S-4:C-4:H-1:	C(CCHN)(CF3)(NHS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHN)(CF3)(NHS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	N(SC[6a]OO)(CCCH)(H)	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	111.4993	10.887	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:4:3:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]CH)(CF3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(CC[6a]HH)(CCCH)(CCO)	C(CC[6a]CH)(CF3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(CC[6a]HH)(CCCH)(CCO)	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	N[5]-3:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CN[5]CH)(CCHH)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	N(CC[6a]O)(CCCH)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	N(CC[6a]O)(CCCH)(H)	110.3515	0.342	2	110.3515	0.117	2	110.3515	0.117	2	110.3515	0.117	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(CCHH)(NOO)(H)	C(CC[6a]O)(CCHN)(CH3)(H)	N(CCCH)(O)2	C(CCCH)(CCHH)(NOO)(H)	C(CC[6a]O)(CCHN)(CH3)(H)	N(CCCH)(O)2	109.5820	0.000	1	109.5820	0.000	1	109.1900	1.070	3	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(CH3)(NOO)(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	N(CCCH)(O)2	C(CCCH)(CH3)(NOO)(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	N(CCCH)(O)2	109.9710	0.000	1	109.9710	0.000	1	109.1900	1.070	3	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)2(NOO)(H)	C(CN[5]O)(CCHN)(CH3)(H)	N(CCCH)(O)2	C(CCCH)2(NOO)(H)	C(CN[5]O)(CCHN)(CH3)(H)	N(CCCH)(O)2	108.0170	0.000	1	108.0170	0.000	1	109.1900	1.070	3	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5a]CH)(CCHH)(NOO)(H)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	N(CCCH)(O)2	C(CC[5a]CH)(CCHH)(NOO)(H)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	N(CCCH)(O)2	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	N(CCCH)(O)2	108.7230	0.182	2	108.7230	0.033	2	107.5747	0.994	7	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	N(CCCH)(O)2	107.0350	0.000	1	107.0350	0.000	1	107.5747	0.994	7	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CCCH)(O)2	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(CCCH)(O)2	107.2330	1.315	2	107.2330	1.730	2	107.5747	0.994	7	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	N(CCCH)(O)2	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	N(CCCH)(O)2	107.0380	0.679	2	107.0380	0.461	2	107.5747	0.994	7	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	N(CCCH)(O)2	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	N(CCCH)(O)2	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	N(CCCH)(O)2	109.7550	1.148	4	109.7550	1.318	4	109.7550	1.318	4	108.6397	1.819	16	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	109.1880	2.360	4	109.1880	5.571	4	109.1880	5.571	4	109.1880	5.571	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	N(SC[6a]OO)(CCCH)(H)	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:2:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:O-1:O-1:	C(CC[6a]CO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	N(CCCH)(O)2	C(CC[6a]CO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	N(CCCH)(O)2	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	3:4:4:2:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	N(CCCH)(COO)(H)	C(CC[6a]CO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	N(CCCH)(COO)(H)	107.1100	0.008	2	107.1100	0.000	2	107.1100	0.000	2	107.1100	0.000	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	2:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-2:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[6])(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[6])(CCCH)2	113.9690	0.355	4	113.9690	0.126	4	113.9690	0.126	4	113.9690	0.126	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:3:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:P-3:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2)(PC[6a]N)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2)(PC[6a]N)(CCCH)	111.9917	1.465	4	111.9917	2.147	4	111.9917	2.147	4	111.9917	2.147	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:Br-1:H-1:H-1:	C-3:C-4:H-1:	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(Br)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(Br)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CClHH)(NCH)(H)	C(CCHN)(Cl)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(CC[6a]HH)(CClHH)(NCH)(H)	C(CCHN)(Cl)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	109.2407	1.575	3	109.2407	2.479	3	109.3715	1.721	4	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:H-1:	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(Cl)(H)2	N(CC[5]O)(CCCH)(H)	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(Cl)(H)2	N(CC[5]O)(CCCH)(H)	109.7640	0.000	1	109.7640	0.000	1	109.3715	1.721	4	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:H-1:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(F)3	N(CC[6]O)(CCCH)(H)	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(F)3	N(CC[6]O)(CCCH)(H)	109.9380	0.600	4	109.9380	0.359	4	109.9380	0.359	4	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:H-1:	C(CH3)2(NBH)(H)	C(CCHN)(H)3	N(BC[5]N)(CCCH)(H)	C(CH3)2(NBH)(H)	C(CCHN)(H)3	N(BC[5]N)(CCCH)(H)	110.6840	1.898	2	110.6840	3.602	2	110.6840	3.602	2	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[4,6]O)(CCCH)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[4,6]O)(CCCH)(H)	108.6900	0.231	2	108.6900	0.053	2	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C)(CCCH)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C)(CCCH)(H)	106.9620	0.000	1	106.9620	0.000	1	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	107.9600	0.382	2	107.9600	0.146	2	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	108.7230	1.079	3	108.7230	1.164	3	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	109.7700	0.000	1	109.7700	0.000	1	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	110.7760	0.000	1	110.7760	0.000	1	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	110.1760	0.000	1	110.1760	0.000	1	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]H)(CCCH)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]H)(CCCH)(H)	111.2662	2.031	4	111.2662	4.125	4	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3,4,5]O)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3,4,5]O)(CCCH)(H)	109.5989	0.978	8	109.5989	0.956	8	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3]O)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3]O)(CCCH)(H)	110.2735	0.506	4	110.2735	0.256	4	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	109.0818	1.510	6	109.0818	2.280	6	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3x3,4,3x5,14x6]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3x3,4,3x5,14x6]N)(CCCH)(H)	108.8927	1.286	6	108.8927	1.653	6	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	109.5641	2.234	8	109.5641	4.992	8	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5a]O)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5a]O)(CCCH)(H)	109.9521	1.118	7	109.9521	1.251	7	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	109.0590	1.590	23	109.0590	2.529	23	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6,6]O)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6,6]O)(CCCH)(H)	109.7045	0.581	6	109.7045	0.338	6	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	109.7393	0.797	6	109.7393	0.635	6	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C)(CCCH)(H)	109.5795	2.257	4	109.5795	5.096	4	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(H)	109.4739	1.299	15	109.4739	1.687	15	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	109.9447	1.082	10	109.9447	1.171	10	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CN[5a]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CN[5a]N)(CCCH)(H)	110.2973	1.880	6	110.2973	3.533	6	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)(H)	109.6560	0.000	1	109.6560	0.000	1	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(H)	109.9750	0.000	1	109.9750	0.000	1	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	109.9557	0.719	3	109.9557	0.517	3	109.5372	2.038	129	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	N(CC[6a]O)(CCHP)(H)	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	N(CC[6a]O)(CCHP)(H)	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	109.5756	1.983	141	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:S-2:	C(CH3)2(NCS)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(SFe)	C(CH3)2(NCS)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(SFe)	110.6840	0.806	4	110.6840	0.650	4	110.6840	0.650	4	110.6840	0.650	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CCH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CCH)	111.4545	0.211	2	111.4545	0.045	2	111.0633	0.901	10	111.3692	1.288	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CNN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CNN)	111.6705	0.011	2	111.6705	0.000	2	111.0633	0.901	10	111.3692	1.288	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CNO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CNO)	111.5260	1.597	2	111.5260	2.549	2	111.0633	0.901	10	111.3692	1.288	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]S)(CCCH)(CCH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]S)(CCCH)(CCH)	110.3328	0.797	4	110.3328	0.636	4	111.0633	0.901	10	111.3692	1.288	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2)(CCCH)(CNN)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2)(CCCH)(CNN)	112.8985	0.670	2	112.8985	0.448	2	112.8985	0.448	2	111.3692	1.288	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[3x3,4,3x5,14x6]C[5])(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[3x3,4,3x5,14x6]C[5])(CCCH)2	113.4620	1.666	16	113.4620	2.777	16	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]Cl)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]Cl)(CCCH)2	112.3067	0.772	12	112.3067	0.597	12	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]N)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]N)(CCCH)2	112.8345	0.786	12	112.8345	0.618	12	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5a]2)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5a]2)(CCCH)2	112.4313	1.947	4	112.4313	3.790	4	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6]Cl)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6]Cl)(CCCH)2	112.2201	0.624	8	112.2201	0.389	8	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6a]Cl)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6a]Cl)(CCCH)2	112.2670	0.513	8	112.2670	0.264	8	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6a]H)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6a]H)(CCCH)2	111.5984	0.659	8	111.5984	0.434	8	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BClFe)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BClFe)(CCCH)2	112.3010	0.740	4	112.3010	0.548	4	112.5653	1.404	72	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)2	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)2	112.1330	0.000	1	112.1330	0.000	1	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[3]O)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[3]O)(CCCH)(CH3)	111.9140	0.165	3	111.9140	0.027	3	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CH3)	110.7190	0.000	1	110.7190	0.000	1	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[3]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[3]O)(CCCH)2	111.6958	0.650	16	111.6958	0.422	16	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[3x4,3x6]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[3x4,3x6]O)(CCCH)2	111.7601	0.650	48	111.7601	0.423	48	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5,5,6]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5,5,6]O)(CCCH)2	111.9958	0.634	4	111.9958	0.402	4	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)2	111.9642	1.181	20	111.9642	1.394	20	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5]S)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5]S)(CCCH)2	111.9352	1.154	4	111.9352	1.332	4	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5a]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5a]O)(CCCH)2	111.7065	0.742	4	111.7065	0.551	4	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5a]S)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5a]S)(CCCH)2	112.1033	1.356	4	112.1033	1.839	4	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6,6]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6,6]O)(CCCH)2	111.8948	0.413	4	111.8948	0.171	4	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6]N)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6]N)(CCCH)2	111.4996	0.700	10	111.4996	0.490	10	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)2	111.4221	1.015	16	111.4221	1.031	16	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(CH3)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(CH3)	111.7120	0.811	20	111.7120	0.658	20	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)2	111.9309	1.386	24	111.9309	1.922	24	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)2	111.7672	0.824	314	111.7672	0.679	314	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CN[6]H)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CN[6]H)(CCCH)2	111.4900	1.149	4	111.4900	1.321	4	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CCHH)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(CCHH)	112.3700	0.000	1	112.3700	0.000	1	111.7663	0.736	498	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]Cl)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]Cl)(CCCH)2	111.5957	1.255	4	111.5957	1.575	4	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	112.0662	0.556	4	112.0662	0.310	4	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6]N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6]N)(CCCH)2	114.0894	1.442	8	114.0894	2.078	8	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2)(CAlNN)(CCCH)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2)(CAlNN)(CCCH)	113.6800	2.406	2	113.6800	5.787	2	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]C)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]C)(CCCH)2	112.7053	1.596	4	112.7053	2.546	4	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]N)(CCCH)(CH3)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]N)(CCCH)(CH3)	111.7055	0.128	2	111.7055	0.016	2	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]N)(CCCH)2	112.2196	1.084	8	112.2196	1.176	8	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]P)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]P)(CCCH)2	112.3690	0.888	8	112.3690	0.788	8	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[5]N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[5]N)(CCCH)2	112.1530	0.755	8	112.1530	0.571	8	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[6]Cl)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[6]Cl)(CCCH)2	112.2165	0.978	4	112.2165	0.957	4	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PP[3]N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PP[3]N)(CCCH)2	112.2837	0.515	8	112.2837	0.265	8	112.5004	1.474	60	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]N[5])(PC[6a]2Pd)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]N[5])(PC[6a]2Pd)(CCCH)	111.2380	0.963	2	111.2380	0.928	2	111.2380	0.928	2	111.9253	0.977	632	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:Cl-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(NOO)(Cl)	C(CClCN)(H)3	N(CClCC)(O)2	C(CC[6a]HN)(CH3)(NOO)(Cl)	C(CClCN)(H)3	N(CClCC)(O)2	110.5460	0.000	2	110.5460	0.000	2	109.0037	7.136	3	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:Cl-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	C(CClCN)(H)3	N(CClCC)(O)2	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	C(CClCN)(H)3	N(CClCC)(O)2	105.9190	0.000	1	105.9190	0.000	1	109.0037	7.136	3	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	120.8480	0.000	1	120.8480	0.000	1	120.8480	0.000	1	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CCCH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	106.9660	0.000	1	106.9660	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	108.9400	0.000	1	108.9400	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[5]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	109.8710	0.000	1	109.8710	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[5a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	109.4530	0.000	1	109.4530	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	107.4210	0.000	1	107.4210	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6]HH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6]HH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	110.9890	0.501	2	110.9890	0.251	2	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	107.7988	0.949	5	107.7988	0.900	5	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]CO)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6a]CO)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	108.2760	0.000	1	108.2760	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	107.9320	0.000	1	107.9320	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	105.7895	1.103	4	105.7895	1.216	4	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6a]HN)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	108.3795	4.743	2	108.3795	22.492	2	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HO)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6a]HO)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	107.9890	0.298	2	107.9890	0.089	2	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HS)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	C(CC[6a]HS)(CH3)(NOO)(H)	C(CCHN)(H)3	N(CCCH)(O)2	106.5220	0.000	1	106.5220	0.000	1	107.9238	3.546	23	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(O)2	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(O)2	110.5410	0.000	1	110.5410	0.000	1	109.8105	1.067	2	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(O)2	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(O)2	109.0800	0.000	1	109.0800	0.000	1	109.8105	1.067	2	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(O)2	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(O)2	107.7020	0.000	1	107.7020	0.000	1	106.6863	0.873	3	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(O)2	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(O)2	106.1785	0.446	2	106.1785	0.199	2	106.6863	0.873	3	108.4308	8.681	32	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:H-1:	C(CH3)2(NHN)(H)	C(CCHN)(H)3	N(CCCH)(NC)(H)	C(CH3)2(NHN)(H)	C(CCHN)(H)3	N(CCCH)(NC)(H)	108.5270	1.700	2	108.5270	2.890	2	108.5270	2.890	2	108.5270	2.890	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(F)3	N(CCCH)(CCO)(H)	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(F)3	N(CCCH)(CCO)(H)	109.8863	0.397	3	109.8863	0.157	3	109.8863	0.157	3	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCHH)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	C(CCHH)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	111.1785	0.736	2	111.1785	0.542	2	111.5178	0.356	4	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	111.8570	0.256	2	111.8570	0.066	2	111.5178	0.356	4	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:H-1:	C-4:S-3:H-1:	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(F)2(H)	N(CCCH)(SCO)(H)	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(F)2(H)	N(CCCH)(SCO)(H)	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	108.5990	0.000	1	108.5990	0.000	1	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	108.4423	1.795	3	108.4423	3.221	3	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	108.3715	0.400	4	108.3715	0.160	4	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	108.9060	0.000	1	108.9060	0.000	1	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	109.9790	2.150	8	109.9790	4.621	8	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	110.2690	0.901	2	110.2690	0.812	2	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	110.3920	0.076	2	110.3920	0.006	2	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	110.3377	0.543	4	110.3377	0.295	4	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	108.9380	0.000	1	108.9380	0.000	1	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]CO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CC[6a]CO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	110.2925	0.028	2	110.2925	0.001	2	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	106.4348	0.310	4	106.4348	0.096	4	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.6160	0.000	1	110.6160	0.000	1	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.0840	0.198	3	110.0840	0.039	3	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCC)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCC)(H)	109.4447	1.848	4	109.4447	3.415	4	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCH)(H)	109.3710	0.156	2	109.3710	0.024	2	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCN)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCN)(H)	110.0872	1.134	22	110.0872	1.285	22	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	109.7295	0.968	44	109.7295	0.936	44	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCS)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCS)(H)	109.5080	0.801	6	109.5080	0.642	6	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CHN)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CHN)(H)	110.0510	1.241	4	110.0510	1.541	4	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNN)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNN)(H)	109.8426	1.647	147	109.8426	2.713	147	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	110.5861	1.660	28	110.5861	2.756	28	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNP)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNP)(H)	109.6787	1.579	18	109.6787	2.494	18	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	109.5667	1.463	70	109.5667	2.142	70	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	110.3291	1.374	8	110.3291	1.888	8	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COP)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COP)(H)	109.3413	1.327	4	109.3413	1.760	4	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CPS)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CPS)(H)	109.2215	1.276	2	109.2215	1.629	2	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CPdN)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CPdN)(H)	109.6522	1.406	8	109.6522	1.978	8	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCC)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCC)(H)	111.3080	0.000	1	111.3080	0.000	1	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	110.0368	1.084	9	110.0368	1.175	9	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	111.8745	0.047	2	111.8745	0.002	2	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.8890	0.000	1	110.8890	0.000	1	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	110.2394	0.482	5	110.2394	0.232	5	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CN[5]CH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	110.8730	0.502	3	110.8730	0.252	3	109.8152	2.232	424	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	N(CCHP)(CNS)(H)	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	N(CCHP)(CNS)(H)	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[3]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	C(CC[3]HN)(H)3	N(CC[3]CH)(COO)(H)	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	C(CC[3]HN)(H)3	N(CC[3]CH)(COO)(H)	110.3315	0.521	2	110.3315	0.272	2	110.3315	0.272	2	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[3x6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CCO)(H)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CCO)(H)	111.1370	0.000	1	111.1370	0.000	1	109.7170	2.751	4	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[3x6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(COO)(H)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(COO)(H)	111.1680	0.000	1	111.1680	0.000	1	109.7170	2.751	4	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[3x6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CCS)(H)	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CCS)(H)	108.3470	0.000	1	108.3470	0.000	1	109.7170	2.751	4	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[3x6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CC[6a]H)(H)	108.2160	0.000	1	108.2160	0.000	1	109.7170	2.751	4	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[4]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[4]C[4]2H)(CH3)(NCH)(H)	C(CC[4]HN)(H)3	N(CC[4]CH)(COO)(H)	C(C[4]C[4]2H)(CH3)(NCH)(H)	C(CC[4]HN)(H)3	N(CC[4]CH)(COO)(H)	110.1957	0.078	3	110.1957	0.006	3	110.1957	0.006	3	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CCO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CCO)(H)	108.2880	0.000	1	108.2880	0.000	1	110.9490	1.438	10	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CCO)(H)	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CCO)(H)	111.4620	0.000	1	111.4620	0.000	1	110.9490	1.438	10	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CC[6a]O)(H)	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CC[6a]O)(H)	110.7760	0.764	4	110.7760	0.583	4	110.9490	1.438	10	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CNS)(H)	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CNS)(H)	110.5810	0.000	1	110.5810	0.000	1	110.9490	1.438	10	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CC[6a]O)(H)	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CC[6a]O)(H)	112.0183	0.286	3	112.0183	0.082	3	110.9490	1.438	10	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CCO)(H)	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CCO)(H)	110.2485	0.538	2	110.2485	0.290	2	108.8800	2.104	6	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CC[6a]O)(H)	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CC[6a]O)(H)	108.6640	0.000	1	108.6640	0.000	1	108.8800	2.104	6	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CNS)(H)	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CNS)(H)	107.1975	0.255	2	107.1975	0.065	2	108.8800	2.104	6	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CCO)(H)	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CCO)(H)	109.7240	0.000	1	109.7240	0.000	1	108.8800	2.104	6	109.8512	2.212	458	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCH)(CNO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCH)(CNO)	111.5462	1.138	12	111.5462	1.296	12	112.0631	1.765	19	111.8175	1.978	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCN)(CNO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCN)(CNO)	113.0973	1.407	4	113.0973	1.979	4	112.0631	1.765	19	111.8175	1.978	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CNN)(CSS)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CNN)(CSS)	113.1235	1.354	2	113.1235	1.834	2	112.0631	1.765	19	111.8175	1.978	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(COO)2	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(COO)2	112.0080	0.000	1	112.0080	0.000	1	112.0631	1.765	19	111.8175	1.978	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(NCH)	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(NCH)	110.6510	1.313	4	110.6510	1.723	4	110.6510	1.723	4	111.8175	1.978	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:B-3:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(BC[6a]2)(CCCH)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(BC[6a]2)(CCCH)	112.3170	0.873	2	112.3170	0.761	2	112.3170	0.761	2	111.6554	0.992	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CSeN)(CH3)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CSeN)(CH3)	110.9610	0.829	2	110.9610	0.687	2	110.9610	0.687	2	111.6554	0.992	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-3:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2H)(PC[6a]2)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2H)(PC[6a]2)(CCCH)	111.0505	1.040	2	111.0505	1.082	2	111.6718	1.218	4	111.6554	0.992	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-3:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Li)(PC[6a]N)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Li)(PC[6a]N)(CCCH)	112.2930	1.014	2	112.2930	1.028	2	111.6718	1.218	4	111.6554	0.992	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	S-4:C-4:H-1:	C(CCHN)(CF3)(NHS)(H)	C(CCHN)(F)3	N(SC[6a]OO)(CCCH)(H)	C(CCHN)(CF3)(NHS)(H)	C(CCHN)(F)3	N(SC[6a]OO)(CCCH)(H)	108.5830	0.000	1	108.5830	0.000	1	108.8510	0.144	2	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	S-4:C-4:H-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	N(SC[6a]OO)(CCCH)(H)	109.1190	0.000	1	109.1190	0.000	1	108.8510	0.144	2	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:F-1:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]FH)(CFHH)(NHS)(H)	C(CCHN)(F)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]FH)(CFHH)(NHS)(H)	C(CCHN)(F)(H)2	N(SC[6a]OO)(CCCH)(H)	107.7215	0.520	2	107.7215	0.270	2	107.7215	0.270	2	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]CH)(CCCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]CH)(CCCH)(H)	108.2030	0.000	1	108.2030	0.000	1	109.6002	1.996	13	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)(H)	109.8805	1.049	2	109.8805	1.100	2	109.6002	1.996	13	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5]NY)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5]NY)(CCCH)(H)	109.9720	0.578	2	109.9720	0.335	2	109.6002	1.996	13	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CErNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CErNN)(CCCH)(H)	109.5310	2.512	2	109.5310	6.308	2	109.6002	1.996	13	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CFeNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CFeNN)(CCCH)(H)	110.1520	3.045	2	110.1520	9.271	2	109.6002	1.996	13	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CYbNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CYbNN)(CCCH)(H)	109.2455	1.906	2	109.2455	3.632	2	109.6002	1.996	13	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CZrNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CZrNN)(CCCH)(H)	109.5185	0.179	2	109.5185	0.032	2	109.6002	1.996	13	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PCCO)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PCCO)(H)	110.7045	1.377	2	110.7045	1.895	2	110.5557	0.832	18	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PCNO)(H)	110.5371	0.902	16	110.5371	0.813	16	110.5557	0.832	18	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SO3)(H)	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SO3)(H)	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CC3)(CH3)(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)(H)	108.6070	0.000	1	108.6070	0.000	1	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)(CCCH)(H)	110.6211	1.404	8	110.6211	1.972	8	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Cu)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Cu)(CCCH)(H)	110.5855	1.971	2	110.5855	3.884	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Fe)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Fe)(CCCH)(H)	110.7295	1.739	4	110.7295	3.024	4	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2N)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2N)(CCCH)(H)	110.3653	1.404	32	110.3653	1.972	32	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Ni)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Ni)(CCCH)(H)	110.7095	1.322	2	110.7095	1.747	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Pt)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Pt)(CCCH)(H)	109.9115	0.457	2	109.9115	0.209	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Ru)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Ru)(CCCH)(H)	110.8600	2.350	2	110.8600	5.524	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]CrN)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]CrN)(CCCH)(H)	110.3520	0.810	2	110.3520	0.657	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]MoN)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]MoN)(CCCH)(H)	110.0270	0.850	2	110.0270	0.722	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]NS)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]NS)(CCCH)(H)	110.3160	2.639	2	110.3160	6.964	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PPtOO)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PPtOO)(CCCH)(H)	110.5130	0.775	2	110.5130	0.601	2	110.4055	1.831	61	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(H)	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(H)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C(CC[5]HN)(H)3	N(SC[6a]OO)(CC[5]CH)(H)	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C(CC[5]HN)(H)3	N(SC[6a]OO)(CC[5]CH)(H)	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	110.2396	1.901	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-2:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BIr)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BIr)	111.3345	0.264	2	111.3345	0.070	2	111.3345	0.070	2	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CC)	110.6188	0.863	8	110.6188	0.745	8	110.6188	0.745	8	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CC[5a]HH)(CH3)(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(NC)	C(CC[5a]HH)(CH3)(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(NC)	113.7050	0.000	1	113.7050	0.000	1	110.7787	1.201	54	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(NO)	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(NO)	111.1065	1.076	6	111.1065	1.157	6	110.7787	1.201	54	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(CCCH)2(NN)	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(CCCH)2(NN)	110.6746	1.023	47	110.6746	1.047	47	110.7787	1.201	54	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CH3)2(NCO)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(OC)	C(CH3)2(NCO)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(OC)	111.2360	4.451	2	111.2360	19.807	2	111.2360	19.807	2	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-2:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCl)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCl)	111.1472	0.638	4	111.1472	0.407	4	111.2734	0.421	16	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-2:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PMo)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PMo)	111.8300	0.536	4	111.8300	0.287	4	111.2734	0.421	16	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-2:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PN)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PN)	110.8760	0.750	4	110.8760	0.563	4	111.2734	0.421	16	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-2:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PV)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PV)	111.2403	0.447	4	111.2403	0.199	4	111.2734	0.421	16	110.8843	1.226	82	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CC[6a]CH)(CF3)(NCC)(H)	C(CCHN)(F)3	N(CC[6a]HH)(CCCH)(CCO)	C(CC[6a]CH)(CF3)(NCC)(H)	C(CCHN)(F)3	N(CC[6a]HH)(CCCH)(CCO)	108.7820	0.000	1	108.7820	0.000	1	110.7792	1.461	5	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CHHO)(CF3)(NCC)(H)	C(CCHN)(F)3	N(CC[6a]HH)(CCCH)(CCO)	C(CHHO)(CF3)(NCC)(H)	C(CCHN)(F)3	N(CC[6a]HH)(CCCH)(CCO)	111.2785	0.535	4	111.2785	0.287	4	110.7792	1.461	5	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6a]2C)(CCCH)(CHN)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6a]2C)(CCCH)(CHN)	111.6505	0.592	2	111.6505	0.350	2	111.6505	0.350	2	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BBrP)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BBrP)	112.2499	0.653	8	112.2499	0.426	8	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BCC)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BCC)	111.7045	0.378	8	111.7045	0.143	8	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BClC)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BClC)	112.4742	0.627	8	112.4742	0.393	8	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BHN)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BHN)	111.4510	1.139	16	111.4510	1.297	16	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BHS)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BHS)	111.7373	0.390	4	111.7373	0.152	4	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BNN)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BNN)	113.2620	1.155	24	113.2620	1.334	24	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BNO)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BNO)	112.8443	1.667	32	112.8443	2.780	32	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BNP)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BNP)	114.0346	1.993	23	114.0346	3.970	23	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(CCCH)2(BPP)	112.4022	0.804	24	112.4022	0.646	24	112.7303	2.298	147	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CC3)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	C(CC3)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	110.9176	0.352	7	110.9176	0.124	7	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	111.6840	0.000	1	111.6840	0.000	1	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCO)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCO)	112.0430	0.000	1	112.0430	0.000	1	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CCHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(COO)	C(CCHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(COO)	112.7080	0.000	1	112.7080	0.000	1	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(CCO)	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(CCO)	111.6035	0.801	4	111.6035	0.641	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCO)	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCO)	111.1330	0.000	1	111.1330	0.000	1	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCC)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCC)	110.8875	1.079	4	110.8875	1.164	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	111.5415	0.554	2	111.5415	0.307	2	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CHN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CHN)	110.2442	1.380	8	110.2442	1.904	8	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CSS)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CSS)	111.1285	1.101	32	111.1285	1.212	32	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(CSS)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(CSS)	110.8354	0.892	10	110.8354	0.796	10	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CBN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CBN)	113.3477	2.427	16	113.3477	5.889	16	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCC)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCC)	112.5660	1.618	4	112.5660	2.616	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCH)	111.3268	1.082	32	111.3268	1.170	32	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCN)	112.9660	1.808	16	112.9660	3.268	16	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCO)	111.5575	0.874	135	111.5575	0.764	135	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCrN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCrN)	111.1222	1.186	4	111.1222	1.407	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CHN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CHN)	110.8881	0.812	8	110.8881	0.659	8	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CHO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CHO)	110.3238	0.856	8	110.3238	0.733	8	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNN)	113.3123	2.133	8	113.3123	4.549	8	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNO)	112.1342	0.978	40	112.1342	0.956	40	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNS)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNS)	112.1225	1.122	32	112.1225	1.260	32	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(COO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(COO)	111.7743	0.982	71	111.7743	0.965	71	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CPdC)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CPdC)	113.0610	1.928	8	113.0610	3.718	8	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CPdH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CPdH)	110.9303	0.472	4	110.9303	0.223	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CRhC)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CRhC)	113.2660	1.558	4	113.2660	2.428	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CSS)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CSS)	111.8836	1.087	75	111.8836	1.181	75	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CSeN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CSeN)	112.4635	1.923	4	112.4635	3.698	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]CH)(CCCH)(CCO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]CH)(CCCH)(CCO)	113.3350	0.061	2	113.3350	0.004	2	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(COO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(COO)	110.6780	1.734	2	110.6780	3.006	2	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CSS)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CSS)	110.7790	1.652	2	110.7790	2.728	2	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CLiNN)(CCCH)(CCN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CLiNN)(CCCH)(CCN)	112.7910	0.284	2	112.7910	0.081	2	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CCO)	113.2558	2.054	4	113.2558	4.219	4	111.7717	1.666	552	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(POO)	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(POO)	112.4180	0.000	1	112.4180	0.000	1	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCP)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCP)	112.7412	0.760	11	112.7412	0.578	11	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PClN)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PClN)	112.0983	1.883	4	112.0983	3.544	4	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PClP)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PClP)	111.7542	1.224	4	111.7542	1.499	4	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNO)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNO)	112.1439	0.655	16	112.1439	0.429	16	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNP)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNP)	113.3781	0.751	32	113.3781	0.563	32	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNS)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNS)	112.0506	0.751	16	112.0506	0.565	16	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPP)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPP)	111.7562	0.604	8	111.7562	0.365	8	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPW)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPW)	112.4008	0.717	4	112.4008	0.515	4	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CC[6a]2H)(CCCH)(POO)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CC[6a]2H)(CCCH)(POO)	112.1377	0.446	4	112.1377	0.199	4	112.5540	0.971	100	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)(CCO)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)(CCO)	110.0350	0.000	1	110.0350	0.000	1	111.2660	3.031	2	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(C[5]C[5]2Mn)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CCHH)(CCO)	C(C[5]C[5]2Mn)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CCHH)(CCO)	112.4970	0.000	1	112.4970	0.000	1	111.2660	3.031	2	112.0352	1.864	808	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]2Fe)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]2Fe)(CCCH)2	111.7015	0.512	4	111.7015	0.263	4	111.7086	0.306	16	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]TiN)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]TiN)(CCCH)2	111.7957	0.924	4	111.7957	0.854	4	111.7086	0.306	16	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6]2V)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[6]2V)(CCCH)2	111.6686	0.413	8	111.6686	0.171	8	111.7086	0.306	16	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)2	113.5735	1.847	18	113.5735	3.410	18	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)	113.0252	0.487	4	113.0252	0.237	4	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNNU)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNNU)	113.5471	1.319	32	113.5471	1.740	32	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNNW)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNNW)	112.9027	1.880	4	112.9027	3.535	4	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCeNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCeNN)(CCCH)2	113.8010	2.080	4	113.8010	4.327	4	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CDyNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CDyNN)(CCCH)2	114.8038	1.976	6	114.8038	3.905	6	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CGdNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CGdNN)(CCCH)2	114.8385	0.268	2	114.8385	0.072	2	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CIrNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CIrNN)(CCCH)2	113.3235	1.402	8	113.3235	1.965	8	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSnNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSnNN)(CCCH)2	113.9640	1.259	4	113.9640	1.586	4	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CZrNO)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CZrNO)(CCCH)2	112.2855	3.146	4	112.2855	9.897	4	113.5678	2.674	86	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCNS)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCNS)	113.3235	1.582	8	113.3235	2.503	8	113.0959	2.232	10	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(PNOO)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(PNOO)	112.1855	0.702	2	112.1855	0.493	2	113.0959	2.232	10	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2B)(CCCH)(CH3)	112.0530	0.907	2	112.0530	0.822	2	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2Ru)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2Ru)(CCCH)(CH3)	113.2480	0.000	1	113.2480	0.000	1	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]C[5]B)(CCCH)(CH3)	112.5300	0.000	1	112.5300	0.000	1	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]Mn2)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]Mn2)(CCCH)2	113.3247	0.674	4	113.3247	0.455	4	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)2	112.7514	1.060	20	112.7514	1.125	20	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2S)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2S)(CCCH)2	112.9287	0.961	4	112.9287	0.924	4	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]PdS)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]PdS)(CCCH)2	113.6411	1.851	8	113.6411	3.426	8	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCl2N)(CCCH)2	111.4410	1.718	4	111.4410	2.953	4	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	113.9905	0.005	2	113.9905	0.000	2	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PFeSiH)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PFeSiH)(CCCH)2	112.0400	0.815	4	112.0400	0.665	4	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PMnCN)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PMnCN)(CCCH)2	113.6290	0.823	8	113.6290	0.677	8	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PNiNN)(CCCH)(CCHH)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PNiNN)(CCCH)(CCHH)	112.5647	0.624	6	112.5647	0.389	6	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PPtNO)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PPtNO)(CCCH)2	113.6747	1.123	15	113.6747	1.262	15	113.0443	1.524	79	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Cr)(PC[6a]CrN)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Cr)(PC[6a]CrN)(CCCH)	112.4981	0.951	8	112.4981	0.904	8	112.8471	0.904	28	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Cr)2(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Cr)2(CCCH)	112.9680	0.615	10	112.9680	0.379	10	112.8471	0.904	28	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Mo)(PC[6a]MoN)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Mo)(PC[6a]MoN)(CCCH)	113.3185	1.061	4	113.3185	1.125	4	112.8471	0.904	28	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Pd)(PC[6a]PdN)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Pd)(PC[6a]PdN)(CCCH)	111.7030	2.111	2	111.7030	4.458	2	112.8471	0.904	28	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2S)(PC[6a]NS)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2S)(PC[6a]NS)(CCCH)	113.4385	1.078	2	113.4385	1.163	2	112.8471	0.904	28	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]N[5a]Pd)(PC[6a]2S)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]N[5a]Pd)(PC[6a]2S)(CCCH)	113.2480	0.180	2	113.2480	0.032	2	112.8471	0.904	28	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:	C(CH3)2(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)2	C(CH3)2(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)2	112.1999	1.679	7	112.1999	2.820	7	112.0602	2.573	8	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(CCHH)	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(CCHH)	111.0830	0.000	1	111.0830	0.000	1	112.0602	2.573	8	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	C(CC[5]HN)(H)3	N(PC[6]2Pd)(CC[5]CH)(CH3)	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	C(CC[5]HN)(H)3	N(PC[6]2Pd)(CC[5]CH)(CH3)	113.3790	0.000	1	113.3790	0.000	1	113.6480	0.145	2	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	C(CC[5]HN)(H)3	N(PC[6a]2Pd)(CC[5]CH)(CH3)	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	C(CC[5]HN)(H)3	N(PC[6a]2Pd)(CC[5]CH)(CH3)	113.9170	0.000	1	113.9170	0.000	1	113.6480	0.145	2	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6]C[6]2Pd)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PPdOO)	C(C[6]C[6]2Pd)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PPdOO)	111.4580	0.233	2	111.4580	0.054	2	112.2730	2.020	3	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6]C[6]2Ru)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PRuOO)	C(C[6]C[6]2Ru)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(PRuOO)	113.9030	0.000	1	113.9030	0.000	1	112.2730	2.020	3	113.0860	2.080	232	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	5:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PCeCNO)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PCeCNO)(CCCH)(H)	110.0691	0.911	10	110.0691	0.831	10	110.0691	0.831	10	110.0691	0.831	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	5:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSr2NN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSr2NN)(CCCH)2	114.1637	1.676	4	114.1637	2.807	4	114.1637	2.807	4	114.2670	5.487	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:1:1:1:	5:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]PdOO)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]PdOO)(CCCH)2	114.3186	2.722	8	114.3186	7.410	8	114.3186	7.410	8	114.2670	5.487	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	110.3960	0.000	1	110.3960	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	108.4030	1.382	2	108.4030	1.909	2	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	109.6790	0.000	1	109.6790	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CC[6a]O)(CCCH)(H)	110.4860	0.000	1	110.4860	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5]O)(CCCH)(H)	109.2100	0.000	1	109.2100	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	110.4300	0.000	1	110.4300	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5,5,6]O)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[5,5,6]O)(CCCH)(H)	109.9380	0.000	1	109.9380	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6]H)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6]H)(CCCH)(H)	110.6777	0.782	3	110.6777	0.612	3	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	109.5900	1.657	2	109.5900	2.747	2	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CC[6a]O)(CCCH)(H)	108.9590	0.000	1	108.9590	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	N(CN[5]Pd)(CCCH)(H)	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	N(CN[5]Pd)(CCCH)(H)	109.0035	2.156	2	109.0035	4.648	2	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6]O)(CCCH)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6]O)(CCCH)(H)	111.1510	0.000	1	111.1510	0.000	1	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)(H)	110.3267	0.858	3	110.3267	0.736	3	109.8628	1.287	20	109.8628	1.287	20	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]O)(CCCH)(CCHH)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]O)(CCCH)(CCHH)	113.2380	0.000	1	113.2380	0.000	1	113.2380	0.000	1	113.2380	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(CCHN)(OC)(H)2	N(CCCH)(O)2	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(CCHN)(OC)(H)2	N(CCCH)(O)2	107.8255	1.740	2	107.8255	3.028	2	108.1624	0.922	5	108.1624	0.922	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)2(NOO)(H)	C(CCHN)(OH)(H)2	N(CCCH)(O)2	C(CHHO)2(NOO)(H)	C(CCHN)(OH)(H)2	N(CCCH)(O)2	108.1725	0.086	2	108.1725	0.007	2	108.1624	0.922	5	108.1624	0.922	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)2(NOO)(H)	C(CCHN)(ON)(H)2	N(CCCH)(O)2	C(CHHO)2(NOO)(H)	C(CCHN)(ON)(H)2	N(CCCH)(O)2	108.8160	0.000	1	108.8160	0.000	1	108.1624	0.922	5	108.1624	0.922	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	108.5475	0.357	2	108.5475	0.128	2	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(CNO)(H)	110.8230	1.109	2	110.8230	1.229	2	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	111.0010	0.000	1	111.0010	0.000	1	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NN)(H)2	N(CCCH)(CCO)(H)	109.2993	1.371	3	109.2993	1.881	3	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(CNO)(H)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(CNO)(H)	111.5500	0.000	1	111.5500	0.000	1	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	109.5350	0.000	1	109.5350	0.000	1	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NP)(H)2	N(CCCH)(CNS)(H)	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NP)(H)2	N(CCCH)(CNS)(H)	107.6195	0.172	2	107.6195	0.030	2	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	110.0700	0.000	1	110.0700	0.000	1	109.5411	2.035	13	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	108.9690	0.000	1	108.9690	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCC)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCC)(H)	108.1740	0.000	1	108.1740	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	108.6300	2.156	3	108.6300	4.647	3	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(COO)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(COO)(H)	110.2400	0.000	1	110.2400	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCFF)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)(H)	C(CCFF)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)(H)	107.7930	0.000	1	107.7930	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	111.2680	0.000	1	111.2680	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CNO)(H)	107.7210	0.000	1	107.7210	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCN)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCN)(H)	108.0450	2.581	2	108.0450	6.661	2	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	110.0490	0.000	1	110.0490	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	110.5230	0.000	1	110.5230	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	108.7030	0.000	1	108.7030	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	108.3480	0.000	1	108.3480	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCO)(H)	111.2263	1.174	3	111.2263	1.378	3	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	N(CCCH)(CPdN)(H)	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	N(CCCH)(CPdN)(H)	109.4720	0.000	1	109.4720	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)(H)	109.0003	0.626	3	109.0003	0.392	3	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)(H)	107.4680	0.000	1	107.4680	0.000	1	109.1908	2.397	23	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:O-1:	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCC)(O)	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCC)(O)	106.0860	0.000	1	106.0860	0.000	1	106.0860	0.000	1	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C[4]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(C[4]C[4]2N)(CHHO)(NCH)(H)	C(CC[4]HN)(OC)(H)2	N(CC[4]CH)(COO)(H)	C(C[4]C[4]2N)(CHHO)(NCH)(H)	C(CC[4]HN)(OC)(H)2	N(CC[4]CH)(COO)(H)	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C[4]-4:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:	C(C[4]C[4]2N)(CHHS)(NCH)(H)	C(CC[4]HN)(SC)(H)2	N(CC[4]CH)(COO)(H)	C(C[4]C[4]2N)(CHHS)(NCH)(H)	C(CC[4]HN)(SC)(H)2	N(CC[4]CH)(COO)(H)	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CHHO)(NCH)(H)	C(CC[5]HN)(OH)(H)2	N(CC[5]CH)(COO)(H)	C(C[5]C[5]2H)(CHHO)(NCH)(H)	C(CC[5]HN)(OH)(H)2	N(CC[5]CH)(COO)(H)	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	109.2969	2.335	40	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:3:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:C-3:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)2	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	N(CCCH)(COO)2	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[5a]CH)(CC[6a]O)(CCCH)	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[5a]CH)(CC[6a]O)(CCCH)	110.1790	0.649	2	110.1790	0.421	2	110.1790	0.421	2	110.1790	0.421	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(OC)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(OC)(H)2	N(SC[6a]OO)(CCCH)(H)	108.0860	0.000	1	108.0860	0.000	1	108.3919	2.783	7	108.3553	2.582	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CCCO)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	107.0957	0.133	3	107.0957	0.018	3	108.3919	2.783	7	108.3553	2.582	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	110.0850	0.000	1	110.0850	0.000	1	108.3919	2.783	7	108.3553	2.582	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CC[5a]HH)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[5a]HH)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	107.9790	0.000	1	107.9790	0.000	1	108.3919	2.783	7	108.3553	2.582	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HN)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HN)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	111.3060	0.000	1	111.3060	0.000	1	108.3919	2.783	7	108.3553	2.582	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:Se-2:H-1:H-1:	S-4:C-4:H-1:	C(CSeHH)(CCCH)(NHS)(H)	C(CCHN)(SeSe)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCHN)(SeSe)(H)2	N(SC[6a]OO)(CCCH)(H)	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	108.3553	2.582	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	S-4:C-4:H-1:	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C(CC[5]HN)(SC)(H)2	N(SC[6a]OO)(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C(CC[5]HN)(SC)(H)2	N(SC[6a]OO)(CC[5]CH)(H)	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	108.3553	2.582	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCHH)(CCO)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CCHH)(CCO)	112.6750	0.137	2	112.6750	0.019	2	111.0722	3.473	4	110.8330	2.222	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(CCO)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(CCO)	109.4695	0.354	2	109.4695	0.126	2	111.0722	3.473	4	110.8330	2.222	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:3:	C[6]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(C[6]C[6]2H)(CHHO)(NCC)(H)	C(CC[6]HN)(OH)(H)2	N(CC[6]CH)(CCHH)(CCO)	C(C[6]C[6]2H)(CHHO)(NCC)(H)	C(CC[6]HN)(OH)(H)2	N(CC[6]CH)(CCHH)(CCO)	110.3545	0.056	2	110.3545	0.003	2	110.3545	0.003	2	110.8330	2.222	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:S-4:	C(CCFH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	N(CC[6a]HH)(CCCH)(SCOO)	C(CCFH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	N(CC[6a]HH)(CCCH)(SCOO)	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	113.2326	3.778	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)2(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)3	C(CHHO)2(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)3	113.3767	2.088	6	113.3767	4.359	6	113.3767	4.359	6	113.2326	3.778	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:2:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:H-1:	C-4:O-1:O-1:	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)(OC)2(H)	N(CCCH)(O)2	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)(OC)2(H)	N(CCCH)(O)2	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6]O)(CCCH)(H)	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6]O)(CCCH)(H)	110.8113	1.440	4	110.8113	2.075	4	110.5294	1.092	8	110.5294	1.092	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)2(NCH)(H)	C(CCHN)(CHO)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)2(NCH)(H)	C(CCHN)(CHO)(H)2	N(CC[6a]O)(CCCH)(H)	110.2475	0.511	4	110.2475	0.261	4	110.5294	1.092	8	110.5294	1.092	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)2(NCC)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]O)(CCCH)2	C(CCHH)2(NCC)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]O)(CCCH)2	112.1700	0.000	1	112.1700	0.000	1	112.1700	0.000	1	112.1700	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(CCHN)(NOO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(O)2	C(CCHH)(CCHN)(NOO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(O)2	109.3630	0.000	1	109.3630	0.000	1	109.4597	3.039	4	108.8910	3.897	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(O)2	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(O)2	110.6750	0.000	1	110.6750	0.000	1	109.4597	3.039	4	108.8910	3.897	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCP)(H)2	N(CCCH)(O)2	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCP)(H)2	N(CCCH)(O)2	110.7720	0.000	1	110.7720	0.000	1	109.4597	3.039	4	108.8910	3.897	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]CH)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(O)2	C(CC[5a]CH)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(O)2	107.0290	0.000	1	107.0290	0.000	1	109.4597	3.039	4	108.8910	3.897	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C(C[6]C[6]2H)(CCHH)(NOO)(H)	C(CC[6]HN)(COO)(H)2	N(CC[6]CH)(O)2	C(C[6]C[6]2H)(CCHH)(NOO)(H)	C(CC[6]HN)(COO)(H)2	N(CC[6]CH)(O)2	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	108.8910	3.897	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:Br-1:H-1:	C-4:C-3:H-1:	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(COS)(Br)(H)	N(CCCH)(COO)(H)	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(COS)(Br)(H)	N(CCCH)(COO)(H)	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CCO)(H)2	N(CCCH)(COO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CCO)(H)2	N(CCCH)(COO)(H)	108.5600	0.000	1	108.5600	0.000	1	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(COO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(COO)(H)	109.2735	1.743	2	109.2735	3.038	2	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	108.5850	0.000	1	108.5850	0.000	1	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	112.1137	0.282	3	112.1137	0.080	3	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CCO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CCO)(H)2	N(CCCH)(CCO)(H)	110.6920	0.000	1	110.6920	0.000	1	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(COO)(H)	110.2353	0.389	3	110.2353	0.152	3	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCO)(H)	108.9140	0.000	1	108.9140	0.000	1	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)(H)	110.0910	0.000	1	110.0910	0.000	1	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(CCO)(H)	110.5005	0.317	2	110.5005	0.101	2	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(COO)(H)	110.3800	0.318	2	110.3800	0.101	2	110.2469	1.489	17	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCO)(H)	109.9570	0.000	1	109.9570	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	108.8555	0.551	2	108.8555	0.303	2	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNS)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNS)(H)	109.1430	0.000	1	109.1430	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	110.2730	0.000	1	110.2730	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	109.9090	1.107	2	109.9090	1.226	2	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	112.0060	0.000	1	112.0060	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	110.8927	1.122	14	110.8927	1.258	14	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	108.2870	0.000	1	108.2870	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)(COO)(H)	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)(COO)(H)	108.5340	0.000	1	108.5340	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCC)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCC)(H)	109.1150	0.000	1	109.1150	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	110.6283	0.867	9	110.6283	0.752	9	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(COO)(H)	109.2970	0.000	1	109.2970	0.000	1	110.3513	1.416	35	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(CCHN)(SCO)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CHHS)(NCH)(H)	C(CCHN)(SCO)(H)2	N(CCCH)(COO)(H)	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[3x6]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	C(CC[3x6]HN)(CCH)(H)2	N(CC[3x6]CH)(COO)(H)	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	C(CC[3x6]HN)(CCH)(H)2	N(CC[3x6]CH)(COO)(H)	109.0775	0.115	2	109.0775	0.013	2	109.0775	0.013	2	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:S-3:H-1:	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C(CC[5]HN)(COO)(F)2	N(CC[5]CH)(SCO)(H)	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C(CC[5]HN)(COO)(F)2	N(CC[5]CH)(SCO)(H)	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C(CC[5]HN)(COO)(H)2	N(CC[5]CH)(CCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C(CC[5]HN)(COO)(H)2	N(CC[5]CH)(CCO)(H)	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:Br-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	C(CC[6]HN)(CCH)(Br)(H)	N(CC[6]CH)(COO)(H)	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	C(CC[6]HN)(CCH)(Br)(H)	N(CC[6]CH)(COO)(H)	110.4020	0.229	2	110.4020	0.052	2	110.4020	0.052	2	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CClCH)(NCH)(H)	C(CC[6]HN)(CN[5]O)(Cl)(H)	N(CC[6]CH)(COO)(H)	C(C[6]C[6]2H)(CClCH)(NCH)(H)	C(CC[6]HN)(CN[5]O)(Cl)(H)	N(CC[6]CH)(COO)(H)	110.0450	1.078	2	110.0450	1.161	2	110.0450	1.161	2	110.3127	1.441	62	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	S-4:C-4:H-1:	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(CCH)(Cl)(H)	N(SC[6a]OO)(CCCH)(H)	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(CCH)(Cl)(H)	N(SC[6a]OO)(CCCH)(H)	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	109.0950	1.132	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	N(SC[6a]OO)(CCCH)(H)	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	109.0950	1.132	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(NCH)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(NCH)(H)2	N(SC[6a]OO)(CCCH)(H)	109.1085	0.856	2	109.1085	0.733	2	109.1085	0.733	2	109.0950	1.132	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCC)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCC)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	109.1760	0.000	1	109.1760	0.000	1	110.2055	2.120	2	110.2055	2.120	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	111.2350	0.000	1	111.2350	0.000	1	110.2055	2.120	2	110.2055	2.120	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:S-3:H-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OC)(H)	N(CCCH)(SCO)(H)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OC)(H)	N(CCCH)(SCO)(H)	108.6610	0.000	1	108.6610	0.000	1	109.5665	1.640	2	111.0724	2.498	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:S-3:H-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(CCCH)(SCO)(H)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(CCCH)(SCO)(H)	110.4720	0.000	1	110.4720	0.000	1	109.5665	1.640	2	111.0724	2.498	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	C(CC[5]HN)(COO)(OH)(H)	N(CC[5]CH)(COO)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	C(CC[5]HN)(COO)(OH)(H)	N(CC[5]CH)(COO)(H)	112.0763	0.629	3	112.0763	0.396	3	112.0763	0.396	3	111.0724	2.498	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	S-4:C-4:H-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(CCH)(OC)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(CCH)(OC)(H)	N(SC[6a]OO)(CCCH)(H)	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:3:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:S-3:H-1:	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	N(CCCH)(SCO)(H)	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	N(CCCH)(SCO)(H)	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	109.6300	0.000	1	109.6300	0.000	1	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CC3)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CCHH)(CC3)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	109.1050	0.000	1	109.1050	0.000	1	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]O)(CCCH)(H)	106.1420	0.000	1	106.1420	0.000	1	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	108.1600	0.000	1	108.1600	0.000	1	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	109.6645	0.411	2	109.6645	0.169	2	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	110.0823	0.808	4	110.0823	0.653	4	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[5]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	109.3280	0.000	1	109.3280	0.000	1	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]2O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	C(CC[6a]2O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[5]O)(CCCH)(H)	109.9680	0.421	3	109.9680	0.177	3	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]CH)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	108.9920	0.106	2	108.9920	0.011	2	109.3694	1.205	16	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:O-1:	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CCHN)(H)2	N(CC[5]H)(CCCH)(O)	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CCHN)(H)2	N(CC[5]H)(CCCH)(O)	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC3)(H)2	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC3)(H)2	N(CC[6a]O)(CCCH)(H)	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[5]HH)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]H)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	C(CC[5]HH)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]H)(CCHN)(H)2	N(CC[6a]O)(CCCH)(H)	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	109.3558	1.087	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)2	111.5060	0.000	1	111.5060	0.000	1	111.1580	0.242	2	111.1580	0.242	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)2	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]O)(CCCH)2	110.8100	0.000	1	110.8100	0.000	1	111.1580	0.242	2	111.1580	0.242	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(O)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(O)2	107.0340	0.000	1	107.0340	0.000	1	108.1401	0.846	7	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(O)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(O)2	107.5625	0.332	2	107.5625	0.110	2	108.1401	0.846	7	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[5]HO)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(O)2	C(CC[5]HO)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(O)2	109.7580	0.000	1	109.7580	0.000	1	108.1401	0.846	7	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(O)2	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(O)2	108.3547	0.399	3	108.3547	0.159	3	108.1401	0.846	7	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)2	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)2	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6]HH)(CH3)(NOO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	N(CCCH)(O)2	C(CC[6]HH)(CH3)(NOO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	N(CCCH)(O)2	109.6340	0.085	2	109.6340	0.007	2	109.0840	0.911	3	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6]C[6]2H)(CCHN)(H)2	N(CCCH)(O)2	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6]C[6]2H)(CCHN)(H)2	N(CCCH)(O)2	107.9840	0.000	1	107.9840	0.000	1	109.0840	0.911	3	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	N(CC[5]CH)(O)2	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	N(CC[5]CH)(O)2	110.6380	0.000	1	110.6380	0.000	1	109.2575	3.812	2	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	N(CC[5]CH)(O)2	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	N(CC[5]CH)(O)2	107.8770	0.000	1	107.8770	0.000	1	109.2575	3.812	2	108.6613	1.272	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:H-1:	C(CClCH)(CCHH)(NCH)(H)	C(CCHN)(CHHN)(Cl)(H)	N(CCCH)(CCO)(H)	C(CClCH)(CCHH)(NCH)(H)	C(CCHN)(CHHN)(Cl)(H)	N(CCCH)(CCO)(H)	110.2130	1.694	3	110.2130	2.868	3	110.2130	2.868	3	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:F-1:	C-4:C-3:H-1:	C(CCFF)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(F)2	N(CCCH)(COO)(H)	C(CCFF)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(F)2	N(CCCH)(COO)(H)	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	109.3070	0.753	9	109.3070	0.567	9	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.8486	0.850	8	110.8486	0.723	8	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CC3)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CC3)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	108.6270	0.000	1	108.6270	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CCHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	111.2610	0.000	1	111.2610	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.4245	0.400	2	110.4245	0.160	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	108.0910	0.000	1	108.0910	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.1952	2.675	6	111.1952	7.157	6	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	110.1925	0.349	2	110.1925	0.122	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CNS)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CNS)(H)	107.7680	0.191	2	107.7680	0.036	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.4520	1.020	4	111.4520	1.041	4	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNO)(H)	111.3145	2.386	4	111.3145	5.691	4	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	109.8085	0.400	2	109.8085	0.160	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCN)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCN)(H)	109.1235	0.057	2	109.1235	0.003	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCO)(H)	109.8920	0.000	1	109.8920	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CNO)(H)	111.0050	0.000	1	111.0050	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.4590	0.384	3	110.4590	0.148	3	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNS)(H)	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNS)(H)	108.4140	0.000	1	108.4140	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	111.3620	1.277	2	111.3620	1.631	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNS)(H)	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNS)(H)	110.5870	0.000	1	110.5870	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(NCH)(H)	C(CCHN)(CCHO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)2(NCH)(H)	C(CCHN)(CCHO)(H)2	N(CCCH)(CCO)(H)	109.3000	0.000	1	109.3000	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(NCH)(H)	C(CC[6]HH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)2(NCH)(H)	C(CC[6]HH)(CCHN)(H)2	N(CCCH)(COO)(H)	109.8975	0.391	2	109.8975	0.153	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(COO)(H)	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(COO)(H)	110.3870	0.000	1	110.3870	0.000	1	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.7467	1.007	15	110.7467	1.013	15	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CCHO)(H)2	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CCHO)(H)2	N(CCCH)(COO)(H)	109.7085	0.612	2	109.7085	0.374	2	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CClCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CClCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.4850	0.370	3	110.4850	0.137	3	110.3501	1.905	77	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)2(NCH)(H)	C(NPtHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CHHN)2(NCH)(H)	C(NPtHH)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.9895	0.926	2	110.9895	0.857	2	110.9895	0.857	2	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHP)(CC3)(NCH)(H)	C(PC[6a]2B)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CHHP)(CC3)(NCH)(H)	C(PC[6a]2B)(CCHN)(H)2	N(CCCH)(CNO)(H)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:P-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(PCOO)(NCH)(H)	C(CCCH)(CHNP)(H)2	N(CCHP)(COO)(H)	C(CCHH)(PCOO)(NCH)(H)	C(CCCH)(CHNP)(H)2	N(CCHP)(COO)(H)	112.4480	0.000	1	112.4480	0.000	1	112.6555	0.086	2	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:P-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(PO3)(NCH)(H)	C(CC[6a]HH)(CHNP)(H)2	N(CCHP)(CNS)(H)	C(CCHH)(PO3)(NCH)(H)	C(CC[6a]HH)(CHNP)(H)2	N(CCHP)(CNS)(H)	112.8630	0.000	1	112.8630	0.000	1	112.6555	0.086	2	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C(CC[5,6]HN)(CC[6a]HH)(H)2	N(CC[5,6]CH)(CCO)(H)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C(CC[5,6]HN)(CC[6a]HH)(H)2	N(CC[5,6]CH)(CCO)(H)	110.3515	0.841	2	110.3515	0.707	2	110.3515	0.707	2	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C(CC[6a]HH)(CC[5]HN)(H)2	N(CC[5]CH)(COO)(H)	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C(CC[6a]HH)(CC[5]HN)(H)2	N(CC[5]CH)(COO)(H)	109.8520	0.000	1	109.8520	0.000	1	110.3852	0.312	4	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(CNS)(H)	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(CNS)(H)	110.7125	0.651	2	110.7125	0.424	2	110.3852	0.312	4	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	N(CC[5]CH)(CCO)(H)	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	N(CC[5]CH)(CCO)(H)	110.2640	0.000	1	110.2640	0.000	1	110.3852	0.312	4	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(SCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(SCO)(H)	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	N(CC[6]CH)(CCO)(H)	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	N(CC[6]CH)(CCO)(H)	109.7300	0.000	1	109.7300	0.000	1	109.0755	0.359	4	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CH3)(H)2	N(CC[6]CH)(CCO)(H)	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CH3)(H)2	N(CC[6]CH)(CCO)(H)	108.8573	0.503	3	108.8573	0.253	3	109.0755	0.359	4	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	Si-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(SiCCO)(CCHH)(NCH)(H)	C(CSiHN)(CCHH)(H)2	N(CSiCH)(CNO)(H)	C(SiCCO)(CCHH)(NCH)(H)	C(CSiHN)(CCHH)(H)2	N(CSiCH)(CNO)(H)	111.9550	2.164	2	111.9550	4.682	2	111.9550	4.682	2	110.3755	2.020	100	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[5a]CH)(CC[6a]O)(CCCH)	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[5a]CH)(CC[6a]O)(CCCH)	112.9225	0.614	2	112.9225	0.378	2	113.2763	0.295	4	111.9164	3.077	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCCH)	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]HH)(CC[3]O)(CCCH)	113.6300	0.083	2	113.6300	0.007	2	113.2763	0.295	4	111.9164	3.077	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-3:C-4:	C(COsCH)(CHHP)(NCC)(H)	C(POsCC)(CCHN)(H)2	N(CCCH)(COsH)(CH3)	C(COsCH)(CHHP)(NCC)(H)	C(POsCC)(CCHN)(H)2	N(CCCH)(COsH)(CH3)	110.1033	0.399	3	110.1033	0.159	3	110.1033	0.159	3	111.9164	3.077	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	S-4:C-4:H-1:	C(CC[6a]FH)(CCFH)(NHS)(H)	C(CCHN)(CH3)(F)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	C(CCHN)(CH3)(F)(H)	N(SC[6a]OO)(CCCH)(H)	109.1115	0.384	2	109.1115	0.147	2	109.1115	0.147	2	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CSiCC)(CCHH)(NHP)(H)	C(CC[6a]HH)(CCHN)(H)2	N(PC[6a]2O)(CCCH)(H)	C(CSiCC)(CCHH)(NHP)(H)	C(CC[6a]HH)(CCHN)(H)2	N(PC[6a]2O)(CCCH)(H)	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	109.7380	0.000	1	109.7380	0.000	1	110.4277	1.709	7	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	109.7090	0.911	2	109.7090	0.829	2	110.4277	1.709	7	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	110.6120	0.000	1	110.6120	0.000	1	110.4277	1.709	7	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	112.9430	0.000	1	112.9430	0.000	1	110.4277	1.709	7	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	110.9760	0.000	1	110.9760	0.000	1	110.4277	1.709	7	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CNiOO)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CNiOO)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	109.3070	0.000	1	109.3070	0.000	1	110.4277	1.709	7	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	N(CCCH)(SCOO)(H)	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	N(CCCH)(SCOO)(H)	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6]HN)(CHHS)(H)2	N(SC[6a]OO)(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6]HN)(CHHS)(H)2	N(SC[6a]OO)(CC[6]CH)(H)	109.6335	1.906	2	109.6335	3.632	2	109.6335	3.632	2	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	P-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCCH)(CHNP)(H)2	N(SC[6a]OO)(CCHP)(H)	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCCH)(CHNP)(H)2	N(SC[6a]OO)(CCHP)(H)	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	110.1409	1.960	14	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(COO)	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(COO)	112.9640	0.000	1	112.9640	0.000	1	111.4957	2.624	3	111.0876	2.033	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CHHN)(H)2	N(CCCH)(CCHH)(CCO)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CHHN)(H)2	N(CCCH)(CCHH)(CCO)	111.7650	0.000	1	111.7650	0.000	1	111.4957	2.624	3	111.0876	2.033	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCO)	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCO)	109.7580	0.000	1	109.7580	0.000	1	111.4957	2.624	3	111.0876	2.033	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-3:	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(CCHP)(H)2	N(CCCH)(CH3)(POO)	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(CCHP)(H)2	N(CCCH)(CH3)(POO)	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	111.0876	2.033	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CCHH)(COO)	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CCHH)(COO)	110.6607	1.717	3	110.6607	2.950	3	110.6607	2.950	3	111.0876	2.033	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:S-4:	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(F)(H)	N(CC[6a]HH)(CCCH)(SCOO)	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(F)(H)	N(CC[6a]HH)(CCCH)(SCOO)	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	112.3552	1.448	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	113.5340	0.000	1	113.5340	0.000	1	112.9035	0.795	2	112.3552	1.448	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	112.2730	0.000	1	112.2730	0.000	1	112.9035	0.795	2	112.3552	1.448	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(NCHH)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(NCHH)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	112.3552	1.448	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S-4:C-4:	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	112.3552	1.448	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CC[6a]O)(CCCH)(H)	108.2690	1.006	2	108.2690	1.011	2	109.7283	4.139	4	109.7283	4.139	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OC)(H)	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OC)(H)	N(CC[6a]O)(CCCH)(H)	111.1875	1.699	2	111.1875	2.887	2	109.7283	4.139	4	109.7283	4.139	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:O-1:O-1:	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)2(OH)(H)	N(CCCH)(O)2	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)2(OH)(H)	N(CCCH)(O)2	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	106.6650	3.212	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:O-1:O-1:	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	N(CCCH)(O)2	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	N(CCCH)(O)2	106.0660	0.000	1	106.0660	0.000	1	106.0660	0.000	1	106.6650	3.212	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:O-1:O-1:	C(CC[5]HO)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	N(CCCH)(O)2	C(CC[5]HO)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	N(CCCH)(O)2	105.2490	0.000	1	105.2490	0.000	1	105.2490	0.000	1	106.6650	3.212	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	110.4900	0.000	1	110.4900	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	113.1340	0.000	1	113.1340	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	109.1720	1.215	2	109.1720	1.476	2	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(COO)(H)	110.2320	0.000	1	110.2320	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OC)(H)	N(CCCH)(COO)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OC)(H)	N(CCCH)(COO)(H)	111.3370	0.000	1	111.3370	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CC3)(OH)(H)	N(CCCH)(COO)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CC3)(OH)(H)	N(CCCH)(COO)(H)	108.7960	0.000	1	108.7960	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OC)(H)	N(CCCH)(CCO)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OC)(H)	N(CCCH)(CCO)(H)	108.6280	0.000	1	108.6280	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CHHO)(OH)(H)	N(CCCH)(CCO)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CHHO)(OH)(H)	N(CCCH)(CCO)(H)	110.6780	0.000	1	110.6780	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	110.2805	0.295	2	110.2805	0.087	2	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	109.7670	0.000	1	109.7670	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHN)(OH)(H)	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHN)(OH)(H)	N(CCCH)(COO)(H)	110.6673	1.448	3	110.6673	2.096	3	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHS)(OH)(H)	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHS)(OH)(H)	N(CCCH)(COO)(H)	109.9050	0.000	1	109.9050	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)2(OH)(H)	N(CCCH)(COO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)2(OH)(H)	N(CCCH)(COO)(H)	106.5380	0.000	1	106.5380	0.000	1	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OH)(H)	N(CCCH)(CCO)(H)	107.9490	0.263	2	107.9490	0.069	2	109.8058	2.452	19	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHS)(NCH)(H)	C(CCHH)(CCHN)(SC)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCHH)(CCHN)(SC)(H)	N(CCCH)(CCO)(H)	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	N(CCCH)(COO)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	N(CCCH)(COO)(H)	109.8770	0.000	1	109.8770	0.000	1	110.6065	1.064	2	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	N(CCCH)(COO)(H)	111.3360	0.000	1	111.3360	0.000	1	110.6065	1.064	2	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	N(CC[5]CH)(CCO)(H)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	N(CC[5]CH)(CCO)(H)	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	110.0173	2.350	23	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:	C(CCHO)(CH3)(NHS)(H)	C(CCHH)(CCHN)(OC)(H)	N(CCCH)(SO3)(H)	C(CCHO)(CH3)(NHS)(H)	C(CCHH)(CCHN)(OC)(H)	N(CCCH)(SO3)(H)	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.6083	2.178	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	S-4:C-4:H-1:	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	N(SC[6a]OO)(CCCH)(H)	109.6645	2.082	2	109.6645	4.337	2	109.6645	4.337	2	109.6083	2.178	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OC)(H)	N(CCCH)(CH3)(CCO)	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OC)(H)	N(CCCH)(CH3)(CCO)	111.5350	0.000	1	111.5350	0.000	1	110.9085	0.785	2	110.9085	0.785	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	N(CCCH)(CH3)(COO)	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	N(CCCH)(CH3)(COO)	110.2820	0.000	1	110.2820	0.000	1	110.9085	0.785	2	110.9085	0.785	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:2:2:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-2:O-2:	S-4:C-4:H-1:	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	N(SC[6a]OO)(CCCH)(H)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)(COO)(H)	N(CC[5]O)(CCCH)(H)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)(COO)(H)	N(CC[5]O)(CCCH)(H)	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(CNO)(H)	N(CCCH)(O)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(CNO)(H)	N(CCCH)(O)2	107.8090	0.000	1	107.8090	0.000	1	108.9395	2.556	2	108.1667	3.823	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:O-1:O-1:	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(CNO)(H)	N(CCCH)(O)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(CNO)(H)	N(CCCH)(O)2	110.0700	0.000	1	110.0700	0.000	1	108.9395	2.556	2	108.1667	3.823	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CCHH)(CCHN)(NOO)(H)	C(CCHH)(CCHN)(NCH)(H)	N(CCCH)(O)2	C(CCHH)(CCHN)(NOO)(H)	C(CCHH)(CCHN)(NCH)(H)	N(CCCH)(O)2	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	108.1667	3.823	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	N(CCCH)(O)2	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	N(CCCH)(O)2	105.5880	0.000	1	105.5880	0.000	1	105.5880	0.000	1	108.1667	3.823	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(CNO)(H)	N(CCCH)(CCO)(H)	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	111.8700	1.303	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CCHN)(NOO)(H)	N(CCCH)(COO)(H)	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CCHN)(NOO)(H)	N(CCCH)(COO)(H)	112.4240	0.000	1	112.4240	0.000	1	112.5265	0.021	2	111.8700	1.303	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(CH3)(NCO)(H)	N(CCCH)(COO)(H)	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(CH3)(NCO)(H)	N(CCCH)(COO)(H)	112.6290	0.000	1	112.6290	0.000	1	112.5265	0.021	2	111.8700	1.303	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-4:H-1:	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	N(CCCH)(SCOO)(H)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	N(CCCH)(SCOO)(H)	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	109.6790	0.000	1	109.6790	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	110.8280	0.211	2	110.8280	0.044	2	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(CCHN)(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(CCHN)(H)	N(CC[6a]O)(CCCH)(H)	110.7280	0.000	1	110.7280	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	109.6170	0.000	1	109.6170	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	112.7170	2.179	2	112.7170	4.749	2	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	112.3170	0.000	1	112.3170	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	111.1430	0.000	1	111.1430	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	111.3790	0.000	1	111.3790	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	110.9570	0.000	1	110.9570	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	110.5510	0.000	1	110.5510	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	109.8282	1.719	4	109.8282	2.954	4	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)2(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	N(CC[6a]O)(CCCH)(H)	111.3762	0.889	4	111.3762	0.790	4	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)(H)	110.2630	0.000	1	110.2630	0.000	1	110.8830	1.706	21	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:O-1:	C(CCCH)(CCHH)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[5]H)(CCCH)(O)	C(CCCH)(CCHH)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[5]H)(CCCH)(O)	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	110.7516	2.004	22	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)2(NOO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(O)2	C(CCCH)2(NOO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(O)2	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	110.2961	1.486	9	110.2961	2.209	9	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	110.0474	1.841	11	110.0474	3.387	11	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)(H)	113.8450	0.000	1	113.8450	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	112.0960	0.000	1	112.0960	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	110.5340	1.327	3	110.5340	1.761	3	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHS)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	111.7260	0.000	1	111.7260	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHS)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	110.8700	0.000	1	110.8700	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNS)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNS)(H)	111.1920	0.000	1	111.1920	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	112.5490	0.000	1	112.5490	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	111.9800	0.000	1	111.9800	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	109.5000	1.172	2	109.5000	1.374	2	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNS)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNS)(H)	113.4320	0.000	1	113.4320	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	111.2725	1.307	2	111.2725	1.709	2	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCC)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCC)(H)	110.4810	0.000	1	110.4810	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	111.2895	1.740	4	111.2895	3.028	4	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	109.6430	0.000	1	109.6430	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	108.4250	0.000	1	108.4250	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	N(CCCH)(CCO)(H)	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	N(CCCH)(CCO)(H)	109.9822	1.213	9	109.9822	1.472	9	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	N(CCCH)(COO)(H)	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	N(CCCH)(COO)(H)	110.7465	0.831	6	110.7465	0.691	6	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	110.1305	1.127	10	110.1305	1.270	10	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	110.3806	0.834	5	110.3806	0.695	5	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	N(CCCH)(CCO)(H)	112.1690	0.000	1	112.1690	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)(H)	112.3010	0.000	1	112.3010	0.000	1	110.5369	2.069	74	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-1:	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCC)(O)	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCC)(O)	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(PO3)(NCH)(H)	C(CHNP)(CH3)2(H)	N(CCHP)(CNS)(H)	C(CCCH)(PO3)(NCH)(H)	C(CHNP)(CH3)2(H)	N(CCHP)(CNS)(H)	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[4]-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[4]C[4]2H)(CCCH)(NCH)(H)	C(CC[4]HN)(CH3)2(H)	N(CC[4]CH)(COO)(H)	C(C[4]C[4]2H)(CCCH)(NCH)(H)	C(CC[4]HN)(CH3)2(H)	N(CC[4]CH)(COO)(H)	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CF3)(H)	N(CC[5]CH)(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CF3)(H)	N(CC[5]CH)(CC[6a]O)(H)	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	110.5745	2.170	78	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-4:	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CC[3]O)(CCCH)	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CC[3]O)(CCCH)	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(CCCO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCCO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	112.8240	0.000	1	112.8240	0.000	1	110.8377	2.524	6	110.8377	2.524	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(CF3)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(CF3)(H)	N(SC[6a]OO)(CCCH)(H)	109.8110	0.000	1	109.8110	0.000	1	110.8377	2.524	6	110.8377	2.524	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	109.8290	1.335	2	109.8290	1.782	2	110.8377	2.524	6	110.8377	2.524	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	110.0930	0.000	1	110.0930	0.000	1	110.8377	2.524	6	110.8377	2.524	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	112.6400	0.000	1	112.6400	0.000	1	110.8377	2.524	6	110.8377	2.524	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CH3)(CCO)	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CH3)(CCO)	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(CCHH)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(CCHH)	112.8145	0.868	2	112.8145	0.753	2	112.8145	0.753	2	112.8145	0.753	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:2:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:O-2:	C-3:C-4:H-1:	C(CC[6a]HH)(CCCO)(NCH)(H)	C(CCHN)(CH3)2(OH)	N(CC[6]H)(CCCH)(H)	C(CC[6a]HH)(CCCO)(NCH)(H)	C(CCHN)(CH3)2(OH)	N(CC[6]H)(CCCH)(H)	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:2:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:P-4:O-2:	C-4:O-1:O-1:	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(CH3)(PO3)(OH)	N(CCCH)(O)2	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(CH3)(PO3)(OH)	N(CCCH)(O)2	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-4:H-1:	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	N(CC[6a]O)(CCCH)(H)	110.7120	0.212	2	110.7120	0.045	2	111.0490	0.193	4	111.0490	0.193	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-4:H-1:	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CC[5]O)(CCCH)(H)	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CC[5]O)(CCCH)(H)	111.5860	0.000	1	111.5860	0.000	1	111.0490	0.193	4	111.0490	0.193	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-4:H-1:	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	N(CC[5]O)(CCCH)(H)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	N(CC[5]O)(CCCH)(H)	111.1860	0.000	1	111.1860	0.000	1	111.0490	0.193	4	111.0490	0.193	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:N-3:	C-4:O-1:O-1:	C(CC[6a]HH)(CCCN)(NOO)(H)	C(CCHN)(CH3)2(NOO)	N(CCCH)(O)2	C(CC[6a]HH)(CCCN)(NOO)(H)	C(CCHN)(CH3)2(NOO)	N(CCCH)(O)2	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(CCO)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(CCO)(H)	111.9680	0.000	1	111.9680	0.000	1	111.6313	0.363	3	111.6313	0.363	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(CCO)(H)	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(CCO)(H)	110.9360	0.000	1	110.9360	0.000	1	111.6313	0.363	3	111.6313	0.363	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(CCO)(H)	111.9900	0.000	1	111.9900	0.000	1	111.6313	0.363	3	111.6313	0.363	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:3:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:Si-4:C-4:C-3:	P-4:C-4:H-1:	C(CSiCC)(CCHH)(NHP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	N(PC[6a]2O)(CCCH)(H)	C(CSiCC)(CCHH)(NHP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	N(PC[6a]2O)(CCCH)(H)	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[4,6]O)(CCCH)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[4,6]O)(CCCH)(H)	109.5315	2.142	2	109.5315	4.587	2	111.5910	3.266	8	111.5910	3.266	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]C)(CCCH)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]C)(CCCH)(H)	110.5050	0.000	1	110.5050	0.000	1	111.5910	3.266	8	111.5910	3.266	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]O)(CCCH)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]O)(CCCH)(H)	112.3510	0.033	2	112.3510	0.001	2	111.5910	3.266	8	111.5910	3.266	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CC[6a]HO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]O)(CCCH)(H)	C(CC[6a]HO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CC[6a]O)(CCCH)(H)	113.0530	0.000	1	113.0530	0.000	1	111.5910	3.266	8	111.5910	3.266	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CN[5]Pd)(CCCH)(H)	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CN[5]Pd)(CCCH)(H)	112.7025	1.686	2	112.7025	2.844	2	111.5910	3.266	8	111.5910	3.266	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:O-1:O-1:	C(CC[5a]HH)(CC3)(NOO)(H)	C(CCHH)(CCHN)(CH3)2	N(CCCH)(O)2	C(CC[5a]HH)(CC3)(NOO)(H)	C(CCHH)(CCHN)(CH3)2	N(CCCH)(O)2	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CCO)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CCO)(H)	111.5665	0.855	2	111.5665	0.731	2	111.0991	1.072	11	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	110.2223	0.443	4	110.2223	0.196	4	111.0991	1.072	11	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	112.1700	0.346	2	112.1700	0.120	2	111.0991	1.072	11	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(COO)(H)	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(COO)(H)	112.4430	0.000	1	112.4430	0.000	1	111.0991	1.072	11	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CPdN)(H)	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CPdN)(H)	109.8500	0.000	1	109.8500	0.000	1	111.0991	1.072	11	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CHHP)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNO)(H)	C(CHHP)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNO)(H)	111.4350	0.000	1	111.4350	0.000	1	111.0991	1.072	11	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(CC[6a]HH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	C(CC[6a]HH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(PO3)(NCH)(H)	C(CHNP)(CH3)3	N(CCHP)(CNS)(H)	C(CC3)(PO3)(NCH)(H)	C(CHNP)(CH3)3	N(CCHP)(CNS)(H)	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	111.5104	1.914	13	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:H-1:	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	110.8090	0.000	1	110.8090	0.000	1	110.8370	0.002	2	111.7404	1.376	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:H-1:	C(CHHP)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	C(CHHP)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	110.8650	0.000	1	110.8650	0.000	1	110.8370	0.002	2	111.7404	1.376	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	N(PC[6a]2O)(CCCH)(H)	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	111.7404	1.376	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]OO)(CCCH)(H)	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	111.7404	1.376	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-1:	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	N(CCHP)(CC3)(O)	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	N(CCHP)(CC3)(O)	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	111.7404	1.376	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CCHH)(CCO)	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	N(CCCH)(CCHH)(CCO)	112.2259	0.409	7	112.2259	0.168	7	112.2259	0.168	7	112.2259	0.168	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	2:4:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	O-2:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(CN)	C(OC[6a])(CCCN)(H)2	N(CC[5]O)(CC3)(H)	C(CHHO)(CH3)(NCH)(CN)	C(OC[6a])(CCCN)(H)2	N(CC[5]O)(CC3)(H)	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	110.5410	0.000	1	110.5410	0.000	1	109.8516	2.368	10	109.8516	2.368	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	110.6420	0.000	1	110.6420	0.000	1	109.8516	2.368	10	109.8516	2.368	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	111.5030	0.000	1	111.5030	0.000	1	109.8516	2.368	10	109.8516	2.368	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(CC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CH3)2(NCH)(CC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	109.1230	2.950	2	109.1230	8.703	2	109.8516	2.368	10	109.8516	2.368	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	110.1390	2.406	2	110.1390	5.787	2	109.8516	2.368	10	109.8516	2.368	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	109.1020	0.207	3	109.1020	0.043	3	109.8516	2.368	10	109.8516	2.368	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:N-2:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CH3)2(NOO)(NN)	C(CCNN)(H)3	N(CCCN)(O)2	C(CH3)2(NOO)(NN)	C(CCNN)(H)3	N(CCCN)(O)2	107.9000	1.824	2	107.9000	3.328	2	107.9000	3.328	2	107.9000	3.328	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	N(CC3)(SCO)(H)	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	N(CC3)(SCO)(H)	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	109.2439	1.951	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.5332	1.675	4	109.5332	2.806	4	109.5332	2.806	4	109.2439	1.951	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(H)3	N(CC3)(SCO)(H)	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(H)3	N(CC3)(SCO)(H)	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	109.2439	1.951	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:1:	C-4:P-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(PO3)(NCH)(CC)	C(CCNP)(F)3	N(CCCP)(COO)(H)	C(CF3)(PO3)(NCH)(CC)	C(CCNP)(F)3	N(CCCP)(COO)(H)	108.4725	0.808	2	108.4725	0.653	2	108.4725	0.653	2	109.2439	1.951	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:2:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(OH)(H)2	N(CC[5]O)(CC3)(H)	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(OH)(H)2	N(CC[5]O)(CC3)(H)	109.0080	0.126	2	109.0080	0.016	2	109.0080	0.016	2	109.0080	0.016	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCH)(CCCN)(H)2	N(CC[5a]O)(CC3)(H)	C(CCHH)(CH3)(NCH)(CN)	C(CCCH)(CCCN)(H)2	N(CC[5a]O)(CC3)(H)	108.4190	0.000	1	108.4190	0.000	1	108.5545	0.037	2	108.5545	0.037	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(CCHH)(H)2	N(CC[6a]O)(CC3)(H)	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(CCHH)(H)2	N(CC[6a]O)(CC3)(H)	108.6900	0.000	1	108.6900	0.000	1	108.5545	0.037	2	108.5545	0.037	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(CC)	C(CCCN)(CCHH)(H)2	N(CC3)(COO)(H)	C(CCCH)(CCHH)(NCH)(CC)	C(CCCN)(CCHH)(H)2	N(CC3)(COO)(H)	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:C-2:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(CH3)2(H)	N(CC[5a]O)(CC3)(H)	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(CH3)2(H)	N(CC[5a]O)(CC3)(H)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:C-2:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(NCH)(CC)	C(CC[6a]HH)(CCCN)(CHHO)(H)	N(CC3)(COO)(H)	C(CCCH)(CCHH)(NCH)(CC)	C(CC[6a]HH)(CCCN)(CHHO)(H)	N(CC3)(COO)(H)	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	110.9040	0.000	1	110.9040	0.000	1	108.6107	7.419	8	108.6107	7.419	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCHH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	105.5355	0.153	2	105.5355	0.024	2	108.6107	7.419	8	108.6107	7.419	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	111.0310	0.926	3	111.0310	0.857	3	108.6107	7.419	8	108.6107	7.419	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[5]O)(CC3)(H)	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[5]O)(CC3)(H)	106.9090	1.629	2	106.9090	2.654	2	108.6107	7.419	8	108.6107	7.419	8	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)2(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(O)2	C(CC[6a]HH)2(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(O)2	108.4585	3.641	2	108.4585	13.256	2	108.4585	13.256	2	108.2560	6.751	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:1:1:	C[5]-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	C(C[6a]C[6a]2)(CC[5]CN)(H)2	N(CC[5]CC)(O)2	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	C(C[6a]C[6a]2)(CC[5]CN)(H)2	N(CC[5]CC)(O)2	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	108.2560	6.751	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(COO)(H)	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(COO)(H)	108.3830	0.000	1	108.3830	0.000	1	110.5009	3.362	7	110.5009	3.362	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)2(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CCO)(H)	C(CC[6a]HH)2(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CCO)(H)	109.5035	3.043	2	109.5035	9.258	2	110.5009	3.362	7	110.5009	3.362	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)2(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CHO)(H)	C(CC[6a]HH)2(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CHO)(H)	111.5290	0.266	4	111.5290	0.071	4	110.5009	3.362	7	110.5009	3.362	7	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:2:1:	4:3:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CH3)(CCO)(NCH)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	N(CC3)(CCO)(H)	C(CC[6a]HO)(CH3)(CCO)(NCH)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	N(CC3)(CCO)(H)	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:3:1:	3:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-3:C-4:H-1:	C(CC[6a]CH)(CH3)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC[6a]O)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC[6a]O)(CC3)(H)	106.1395	0.622	2	106.1395	0.386	2	106.1395	0.386	2	106.1395	0.386	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:3:1:	4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	N(CC3)(O)2	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	N(CC3)(O)2	107.4300	0.000	1	107.4300	0.000	1	109.3490	7.365	2	109.3490	7.365	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:3:1:	4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	N(CC3)(O)2	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	N(CC3)(O)2	111.2680	0.000	1	111.2680	0.000	1	109.3490	7.365	2	109.3490	7.365	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:3:1:	4:3:1:	C-4:C-4:C-3:N-3:	C[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	N(CC3)(CNO)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	N(CC3)(CNO)(H)	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	112.7333	39.629	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:3:1:	4:3:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-4:S-3:H-1:	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC3)(SCO)(H)	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC3)(SCO)(H)	116.3495	0.893	2	116.3495	0.798	2	116.3495	0.798	2	112.7333	39.629	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:4:1:	4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CC3)(O)2	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CC3)(O)2	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	3:4:4:1:	4:3:3:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CC3)(COO)(NCH)	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CC3)(COO)(NCH)	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]CH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	111.2340	1.031	2	111.2340	1.063	2	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	111.2100	0.639	2	111.2100	0.409	2	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	109.0915	1.791	56	109.0915	3.208	56	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[5]S)(CC3)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[5]S)(CC3)(H)	108.6180	3.993	4	108.6180	15.941	4	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[6]O)(CC3)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[6]O)(CC3)(H)	109.6365	2.036	4	109.6365	4.146	4	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	109.2808	1.755	12	109.2808	3.079	12	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	108.7228	2.313	6	108.7228	5.352	6	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	109.5371	1.585	20	109.5371	2.514	20	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CHHO)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	109.7465	1.852	2	109.7465	3.430	2	109.2682	3.486	108	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:O-1:	C(CH3)2(CCC)(NCO)	C(CCCN)(H)3	N(CC[6]N)(CC3)(O)	C(CH3)2(CCC)(NCO)	C(CCCN)(H)3	N(CC[6]N)(CC3)(O)	108.8240	2.096	2	108.8240	4.393	2	108.8240	4.393	2	109.2602	3.465	110	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(CH3)(COO)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CCCH)(CH3)(COO)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	107.6570	0.000	1	107.6570	0.000	1	108.3550	0.272	5	109.1384	2.312	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(COO)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CC[6a]HN)(CH3)(COO)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	108.5110	0.686	2	108.5110	0.470	2	108.3550	0.272	5	109.1384	2.312	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CH3)2(CNO)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CH3)2(CNO)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	108.5480	0.075	2	108.5480	0.006	2	108.3550	0.272	5	109.1384	2.312	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(CH3)(NOO)2	C(CCNN)(H)3	N(CCCN)(O)2	C(CHHO)(CH3)(NOO)2	C(CCNN)(H)3	N(CCCN)(O)2	110.1178	1.871	4	110.1178	3.501	4	110.1178	3.501	4	109.1384	2.312	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:2:2:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:N-2:	C(CH3)2(CHH)(NNO)	C(CCCN)(H)3	N(CC3)(OPd)(NN)	C(CH3)2(CHH)(NNO)	C(CCCN)(H)3	N(CC3)(OPd)(NN)	107.2705	0.408	2	107.2705	0.166	2	107.2705	0.166	2	107.2705	0.166	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.7439	0.356	7	109.7439	0.127	7	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	110.7210	0.000	1	110.7210	0.000	1	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	109.2105	1.477	2	109.2105	2.182	2	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CCCH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	110.5520	0.000	1	110.5520	0.000	1	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	110.9260	0.000	1	110.9260	0.000	1	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CH3)(CCO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CC[6a]HO)(CH3)(CCO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	107.0330	0.000	1	107.0330	0.000	1	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(CCH)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)2(CCH)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.2742	0.593	4	109.2742	0.352	4	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.1949	1.718	432	109.1949	2.952	432	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	109.1936	1.783	54	109.1936	3.179	54	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.3833	1.913	90	109.3833	3.659	90	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCS)(H)	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCS)(H)	109.0345	1.457	4	109.0345	2.122	4	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	109.6090	2.735	2	109.6090	7.481	2	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(COS)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CH3)2(COS)(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	110.1328	3.342	4	110.1328	11.172	4	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.2960	1.161	7	109.2960	1.347	7	109.2411	3.031	610	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C[5]-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	C(CC[5]CN)(H)3	N(CC[5]CC)(CCO)(H)	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	C(CC[5]CN)(H)3	N(CC[5]CC)(CCO)(H)	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C[6]-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CCO)(H)	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CCO)(H)	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	109.2483	3.039	612	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:3:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(CCCN)(H)3	N(CC3)(COO)(NCH)	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(CCCN)(H)3	N(CC3)(COO)(NCH)	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	109.4933	3.230	8	109.4933	10.434	8	109.5082	10.700	17	109.5082	10.700	17	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)2(COO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CH3)2(COO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	109.0509	3.427	8	109.0509	11.744	8	109.5082	10.700	17	109.5082	10.700	17	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(CH3)(COO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CHHO)(CH3)(COO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	113.2860	0.000	1	113.2860	0.000	1	109.5082	10.700	17	109.5082	10.700	17	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:2:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(CHHO)(COO)(NCH)	C(CCCN)(OC)(H)2	N(CC[6a]O)(CC3)(H)	C(CC[6]HH)(CHHO)(COO)(NCH)	C(CCCN)(OC)(H)2	N(CC[6a]O)(CC3)(H)	109.8260	0.383	2	109.8260	0.147	2	108.9250	2.085	4	108.9250	2.085	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:2:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)(COO)(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]O)(CC3)(H)	C(CHHO)(CH3)(COO)(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]O)(CC3)(H)	108.0240	1.691	2	108.0240	2.861	2	108.9250	2.085	4	108.9250	2.085	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:N-3:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(CH3)(NOO)2	C(CCNN)(OC)(H)2	N(CCCN)(O)2	C(CHHO)(CH3)(NOO)2	C(CCNN)(OC)(H)2	N(CCCN)(O)2	108.2015	0.880	4	108.2015	0.774	4	109.2509	2.166	12	109.2509	2.166	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:N-3:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)2(NOO)2	C(CCNN)(OC)(H)2	N(CCCN)(O)2	C(CHHO)2(NOO)2	C(CCNN)(OC)(H)2	N(CCCN)(O)2	109.7756	1.459	8	109.7756	2.128	8	109.2509	2.166	12	109.2509	2.166	12	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:2:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCN)(CC)(H)2	N(CC3)(COO)(H)	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCN)(CC)(H)2	N(CC3)(COO)(H)	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:2:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(CH3)(COO)(NHS)	C(CCCN)(OH)(H)2	N(SC[6a]OO)(CC3)(H)	C(CHHO)(CH3)(COO)(NHS)	C(CCCN)(OH)(H)2	N(SC[6a]OO)(CC3)(H)	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:3:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHH)(COO)(NCH)	C(CCCN)(CCH)(H)2	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCHH)(COO)(NCH)	C(CCCN)(CCH)(H)2	N(CC[6a]O)(CC3)(H)	107.7505	0.271	2	107.7505	0.073	2	107.7505	0.073	2	107.7505	0.073	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:3:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(CCCN)(CCH)(H)2	N(CC3)(O)2	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(CCCN)(CCH)(H)2	N(CC3)(O)2	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	109.8321	1.691	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:3:1:1:	4:1:1:	C-4:C-4:N-3:N-3:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)2(NOO)2	C(CCNN)(NCC)(H)2	N(CCCN)(O)2	C(CHHN)2(NOO)2	C(CCNN)(NCC)(H)2	N(CCCN)(O)2	109.7796	1.380	8	109.7796	1.905	8	109.7796	1.905	8	109.8321	1.691	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:3:4:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-3:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CSiC)(CH3)(H)	N(CC3)(COO)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CSiC)(CH3)(H)	N(CC3)(COO)(H)	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6]HH)(CHHO)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	C(CC[6]HH)(CHHO)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	105.9125	0.197	2	105.9125	0.039	2	105.9125	0.039	2	105.9125	0.039	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(COO)(NCH)	C(CCCN)(CCHH)(H)2	N(CC3)(COO)(H)	C(CCCH)(CCHH)(COO)(NCH)	C(CCCN)(CCHH)(H)2	N(CC3)(COO)(H)	112.8600	0.000	1	112.8600	0.000	1	109.6718	4.432	20	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(CNO)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CCO)(H)	C(CCHH)2(CNO)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CCO)(H)	108.4327	2.273	8	108.4327	5.167	8	109.6718	4.432	20	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(COO)(NCH)	C(CCCN)(CCHH)(H)2	N(CC3)(COO)(H)	C(CCHH)2(COO)(NCH)	C(CCCN)(CCHH)(H)2	N(CC3)(COO)(H)	111.0575	0.077	4	111.0575	0.006	4	109.6718	4.432	20	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(COO)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CCO)(H)	C(CCHH)2(COO)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CCO)(H)	108.5015	3.060	2	108.5015	9.361	2	109.6718	4.432	20	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)2(CPtC)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CCO)(H)	C(CCHH)2(CPtC)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CCO)(H)	110.1405	0.855	4	110.1405	0.730	4	109.6718	4.432	20	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(CCHH)(COO)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CNO)(H)	C(CC[6]HH)(CCHH)(COO)(NCH)	C(CCCN)(CH3)(H)2	N(CC3)(CNO)(H)	111.3200	0.000	1	111.3200	0.000	1	109.6718	4.432	20	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(CCCN)(CCHH)(H)2	N(CC3)(SCO)(H)	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(CCCN)(CCHH)(H)2	N(CC3)(SCO)(H)	108.6090	1.928	2	108.6090	3.716	2	108.6090	3.716	2	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:Si-4:H-1:H-1:	C-4:C-3:H-1:	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(SiC3)(H)2	N(CC3)(CCO)(H)	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(SiC3)(H)2	N(CC3)(CCO)(H)	109.1880	2.180	7	109.1880	4.752	7	109.1880	4.752	7	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(CCHH)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	N(CC3)(CNO)(H)	C(CC[6]HH)(CCHH)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	N(CC3)(CNO)(H)	112.6135	0.105	2	112.6135	0.011	2	112.6135	0.011	2	109.6838	4.588	31	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:2:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:C-4:N-2:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CCCN)(CCHH)(NS)(H)	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CCCN)(CCHH)(NS)(H)	N(CC[6a]O)(CC3)(H)	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:2:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(CCCN)(CH3)(OH)(H)	N(CC3)(CNO)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(CCCN)(CH3)(OH)(H)	N(CC3)(CNO)(H)	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:3:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(CCCN)(CCHH)(CCH)(H)	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(CCCN)(CCHH)(CCH)(H)	N(CC[6a]O)(CC3)(H)	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	108.1357	0.295	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:3:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CCCN)(CCHH)(NHS)(H)	N(CC[6a]O)(CC3)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CCCN)(CCHH)(NHS)(H)	N(CC[6a]O)(CC3)(H)	108.4155	0.346	2	108.4155	0.120	2	108.4155	0.120	2	108.1357	0.295	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:3:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(COO)(NCH)	C(CCCN)(CH3)(CNO)(H)	N(CC3)(COO)(H)	C(CCCH)(CCHH)(COO)(NCH)	C(CCCN)(CH3)(CNO)(H)	N(CC3)(COO)(H)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:4:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(CH3)(COO)(NOO)	C(CCCN)(CCHH)(CF3)(H)	N(CC3)(O)2	C(CCCH)(CH3)(COO)(NOO)	C(CCCN)(CCHH)(CF3)(H)	N(CC3)(O)2	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(COO)(H)	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(COO)(H)	108.8420	0.000	1	108.8420	0.000	1	107.3136	0.677	11	107.3136	0.677	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(CCO)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(CCO)(H)	106.8901	0.590	7	106.8901	0.348	7	107.3136	0.677	11	107.3136	0.677	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(CNO)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(CNO)(H)	108.0670	0.000	1	108.0670	0.000	1	107.3136	0.677	11	107.3136	0.677	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(COO)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(COO)(H)	108.0350	0.000	1	108.0350	0.000	1	107.3136	0.677	11	107.3136	0.677	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:3:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CH3)(COO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(CCO)(H)	C(CCCH)(CH3)(COO)(NCH)	C(CCCN)(CH3)2(H)	N(CC3)(CCO)(H)	107.2750	0.000	1	107.2750	0.000	1	107.3136	0.677	11	107.3136	0.677	11	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	2:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)2(NCH)	C(OC[3])(CCCN)(H)2	N(CC[6a]C[3]H)(CC3)(H)	C(CHHO)(CH3)2(NCH)	C(OC[3])(CCCN)(H)2	N(CC[6a]C[3]H)(CC3)(H)	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	3:3:4:1:	4:1:1:	C-4:C-4:C-4:N-3:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(CH3)2(NOO)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	N(CC3)(O)2	C(CC[6a]C[5]H)(CH3)2(NOO)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	N(CC3)(O)2	104.4283	1.607	4	104.4283	2.582	4	104.4283	2.582	4	104.4283	2.582	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	3:4:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[5,6]N)(CC3)(H)	C(CC[6a]HH)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[5,6]N)(CC3)(H)	111.9363	0.141	3	111.9363	0.020	3	111.9363	0.020	3	111.9363	0.020	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	3:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C[5a]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(CH3)2(NOO)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	N(CC3)(O)2	C(CC[5a]HH)(CH3)2(NOO)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	N(CC3)(O)2	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.3570	0.032	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	3:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C[6]-3:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6]HH)(CH3)2(NOO)	C(C[6]C[6]2)(CCCN)(H)2	N(CC3)(O)2	C(CC[6]HH)(CH3)2(NOO)	C(C[6]C[6]2)(CCCN)(H)2	N(CC3)(O)2	106.2310	0.000	1	106.2310	0.000	1	106.2310	0.000	1	106.3570	0.032	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	3:4:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CC[5]C)(CCCN)(H)2	N(CC3)(COO)(H)	C(CCHH)(CH3)2(NCH)	C(CC[5]C)(CCCN)(H)2	N(CC3)(COO)(H)	110.9500	0.030	2	110.9500	0.001	2	110.9500	0.001	2	112.2122	1.429	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	3:4:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CCO)(H)	C(CC[6a]HH)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CCO)(H)	113.0537	0.450	3	113.0537	0.203	3	113.0537	0.203	3	112.2122	1.429	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	3:4:3:1:	4:3:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	N(CC3)(CCO)(H)	C(CC[6a]HN)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	N(CC3)(CCO)(H)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	2:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[6a])(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[6a])(CC3)(H)	109.0400	3.010	3	109.0400	9.060	3	109.0400	9.060	3	109.0400	9.060	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:3:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	B-3:B-3:C-4:	C(CH3)3(NBB)	C(CCCN)(H)3	N(BC[6a]2)(BC[6a]C)(CC3)	C(CH3)3(NBB)	C(CCCN)(H)3	N(BC[6a]2)(BC[6a]C)(CC3)	110.5517	1.893	3	110.5517	3.582	3	110.5517	3.582	3	110.3841	1.816	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:3:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	B-3:C-3:C-4:	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]Rh)(CC[5]C)(CC3)	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]Rh)(CC[5]C)(CC3)	110.7468	0.999	6	110.7468	0.998	6	110.7928	2.089	15	110.3841	1.816	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:3:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	B-3:C-3:C-4:	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]Rh)(CC[6a]C)(CC3)	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]Rh)(CC[6a]C)(CC3)	110.8234	1.741	9	110.8234	3.030	9	110.7928	2.089	15	110.3841	1.816	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:3:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]C)(CC[6a]O)(CC3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]C)(CC[6a]O)(CC3)	109.6472	0.645	9	109.6472	0.416	9	109.6472	0.416	9	110.3841	1.816	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	B-3:C-4:H-1:	C(CH3)3(NBH)	C(CCCN)(H)3	N(BC[5]N)(CC3)(H)	C(CH3)3(NBH)	C(CCCN)(H)3	N(BC[5]N)(CC3)(H)	109.5757	1.949	27	109.5757	3.798	27	109.5078	4.514	36	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	B-3:C-4:H-1:	C(CH3)3(NBH)	C(CCCN)(H)3	N(BC[6a]C)(CC3)(H)	C(CH3)3(NBH)	C(CCCN)(H)3	N(BC[6a]C)(CC3)(H)	109.3041	2.710	9	109.3041	7.344	9	109.5078	4.514	36	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCCN)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CCCN)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	108.3110	3.555	2	108.3110	12.640	2	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	106.7595	1.003	2	106.7595	1.007	2	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	107.9505	4.218	2	107.9505	17.791	2	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CCHH)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	108.4805	0.808	2	108.4805	0.653	2	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[5,6]N)(CC3)(H)	C(CC[6a]HH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[5,6]N)(CC3)(H)	107.2232	3.326	6	107.2232	11.065	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[3,4,5]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[3,4,5]O)(CC3)(H)	108.5416	2.154	12	108.5416	4.640	12	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[3]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[3]O)(CC3)(H)	108.7351	2.096	9	108.7351	4.394	9	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[4]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[4]O)(CC3)(H)	108.6597	2.827	3	108.6597	7.991	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5,5]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5,5]O)(CC3)(H)	108.7977	2.208	3	108.7977	4.876	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5,6]N)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5,6]N)(CC3)(H)	108.8293	3.982	6	108.8293	15.853	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5,6]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5,6]O)(CC3)(H)	108.6191	1.485	9	108.6191	2.205	9	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5]H)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5]H)(CC3)(H)	108.5851	1.727	9	108.5851	2.984	9	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5]O)(CC3)(H)	108.5866	1.855	90	108.5866	3.440	90	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]H)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]H)(CC3)(H)	108.0940	1.488	6	108.0940	2.214	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]N)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]N)(CC3)(H)	108.5955	2.511	6	108.5955	6.306	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	108.5057	1.892	15	108.5057	3.579	15	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6,6]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6,6]O)(CC3)(H)	108.5647	2.886	3	108.5647	8.329	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]C)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]C)(CC3)(H)	108.8230	4.516	3	108.8230	20.395	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]H)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]H)(CC3)(H)	108.2622	1.922	6	108.2622	3.696	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]O)(CC3)(H)	108.6888	1.816	83	108.6888	3.297	83	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]S)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6]S)(CC3)(H)	108.3492	1.925	6	108.3492	3.705	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]2)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]2)(CC3)(H)	108.2273	4.504	6	108.2273	20.282	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]N)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]N)(CC3)(H)	108.6747	2.926	21	108.6747	8.561	21	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]N[4])(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]N[4])(CC3)(H)	109.1077	3.691	3	109.1077	13.620	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	108.7413	1.902	90	108.7413	3.619	90	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]Pd)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]Pd)(CC3)(H)	108.5493	4.911	3	108.5493	24.117	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]S)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]S)(CC3)(H)	108.5775	2.265	6	108.5775	5.132	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CMoC)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CMoC)(CC3)(H)	108.5563	2.133	3	108.5563	4.550	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[5]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[5]O)(CC3)(H)	108.9753	3.624	3	108.9753	13.136	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[5]Se)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[5]Se)(CC3)(H)	108.6270	3.793	3	108.6270	14.387	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[5a]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[5a]O)(CC3)(H)	108.4754	2.168	9	108.4754	4.700	9	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[6]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CN[6]O)(CC3)(H)	109.0280	3.193	3	109.0280	10.198	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CPdN)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CPdN)(CC3)(H)	108.7822	3.089	6	108.7822	9.544	6	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CSeN)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CSeN)(CC3)(H)	108.6317	3.847	3	108.6317	14.799	3	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(H)	108.2370	2.395	4	108.2370	5.738	4	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6]H)(CC3)(H)	C(CHHO)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6]H)(CC3)(H)	111.6080	0.000	1	111.6080	0.000	1	108.6104	4.561	447	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:O-1:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]H)(CC3)(O)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]H)(CC3)(O)	107.9954	2.902	39	107.9954	8.419	39	107.9954	8.419	39	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:O-1:	C(CH3)2(PO3)(NCO)	C(CCNP)(H)3	N(CC[6a]H)(CCCP)(O)	C(CH3)2(PO3)(NCO)	C(CCNP)(H)3	N(CC[6a]H)(CCCP)(O)	110.4405	3.673	2	110.4405	13.494	2	110.4405	13.494	2	108.6332	4.925	524	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]H)(CC3)(ONi)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]H)(CC3)(ONi)	107.9514	1.743	11	107.9514	3.038	11	108.1396	4.224	25	108.1396	4.224	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]H)(CC3)(OPd)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]H)(CC3)(OPd)	108.2874	2.326	14	108.2874	5.408	14	108.1396	4.224	25	108.1396	4.224	25	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	B-3:C-4:C-3:	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]Rh)(CC3)(CCC)	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]Rh)(CC3)(CCC)	110.8328	1.629	6	110.8328	2.653	6	110.8328	2.653	6	109.4537	1.240	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(CCO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(CCO)	109.2788	0.223	6	109.2788	0.050	6	109.1398	0.141	9	109.4537	1.240	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(CCO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(CCO)	108.8617	0.515	3	108.8617	0.266	3	109.1398	0.141	9	109.4537	1.240	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(NCH)	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(NCH)	109.1633	0.880	3	109.1633	0.774	3	109.2266	0.835	24	109.4537	1.240	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(NCC)	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(NCC)	108.8600	1.057	3	108.8600	1.117	3	109.2266	0.835	24	109.4537	1.240	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(NCH)	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(NCH)	109.1060	0.977	6	109.1060	0.955	6	109.2266	0.835	24	109.4537	1.240	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(NCS)	C(CH3)3(NCN)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(NCS)	109.3943	0.944	12	109.3943	0.892	12	109.2266	0.835	24	109.4537	1.240	39	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]B)(CC3)(CH3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]B)(CC3)(CH3)	108.8633	1.805	3	108.8633	3.259	3	109.3830	1.267	9	109.3830	1.267	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(CH3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)(CH3)	109.6428	0.694	6	109.6428	0.482	6	109.3830	1.267	9	109.3830	1.267	9	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCHN)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CCHN)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	106.6490	3.141	2	106.6490	9.866	2	106.5200	5.055	24	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CC[5]CH)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	105.4475	5.673	2	105.4475	32.184	2	106.5200	5.055	24	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CC[5a]HH)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	106.8060	2.918	2	106.8060	8.512	2	106.5200	5.055	24	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6]HH)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CC[6]HH)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	107.1570	1.731	2	107.1570	2.996	2	106.5200	5.055	24	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]C[5]H)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CC[6a]C[5]H)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	107.0575	1.919	8	107.0575	3.681	8	106.5200	5.055	24	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)2(CH3)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CHHN)2(CH3)(NOO)	C(CCCN)(H)3	N(CC3)(O)2	104.3898	0.791	4	104.3898	0.626	4	106.5200	5.055	24	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	C(CHHO)(CH3)2(NOO)	C(CCCN)(H)3	N(CC3)(O)2	107.5853	1.500	4	107.5853	2.249	4	106.5200	5.055	24	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	N(CCCP)(O)2	C(CCCH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	N(CCCP)(O)2	108.9510	0.000	1	108.9510	0.000	1	108.8005	0.045	2	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	N(CCCP)(O)2	C(CCHH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	N(CCCP)(O)2	108.6500	0.000	1	108.6500	0.000	1	108.8005	0.045	2	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	S-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCNS)(H)3	N(CCCS)(O)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCNS)(H)3	N(CCCS)(O)2	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	106.7874	5.071	27	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:2:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(CH3)3(NNO)	C(CCCN)(H)3	N(CC3)(NC)(O)	C(CH3)3(NNO)	C(CCCN)(H)3	N(CC3)(NC)(O)	109.9693	2.077	3	109.9693	4.314	3	109.9693	4.314	3	109.9693	4.314	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:2:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:N-2:O-2:	C(CCCN)(CH3)2(NNO)	C(CCCN)(H)3	N(CC3)(NO)(OC)	C(CCCN)(CH3)2(NNO)	C(CCCN)(H)3	N(CC3)(NO)(OC)	107.5330	0.433	2	107.5330	0.187	2	107.5330	0.187	2	107.5800	0.326	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:2:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:N-2:	C(CH3)3(NNO)	C(CCCN)(H)3	N(CC3)(OPd)(NN)	C(CH3)3(NNO)	C(CCCN)(H)3	N(CC3)(OPd)(NN)	107.6113	0.744	3	107.6113	0.554	3	107.6113	0.554	3	107.5800	0.326	5	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	105.5845	0.442	2	105.5845	0.195	2	105.5845	0.195	2	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:B-3:H-1:	C(CH3)3(NBH)	C(CCCN)(H)3	N(CC3)(BHN)(H)	C(CH3)3(NBH)	C(CCCN)(H)3	N(CC3)(BHN)(H)	109.5360	1.005	6	109.5360	1.011	6	109.5360	1.011	6	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	108.2543	1.797	14	108.2543	3.229	14	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CNS)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CNS)(H)	108.2315	3.199	4	108.2315	10.231	4	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	108.2428	1.784	4	108.2428	3.183	4	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CC[5]HH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	108.0950	2.097	2	108.0950	4.399	2	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CC[6a]HH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	107.3465	2.830	6	107.3465	8.011	6	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CC[6a]HN)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	108.0205	4.550	2	108.0205	20.705	2	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCC)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCC)(H)	108.9480	2.950	23	108.9480	8.705	23	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCH)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCH)(H)	108.2012	1.963	6	108.2012	3.854	6	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCN)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCN)(H)	108.6916	2.497	39	108.6916	6.237	39	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	108.6915	1.829	227	108.6915	3.347	227	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCS)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCS)(H)	108.2493	2.938	3	108.2493	8.631	3	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNN)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNN)(H)	108.9422	2.493	15	108.9422	6.215	15	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	108.8445	2.383	69	108.8445	5.679	69	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNS)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNS)(H)	108.9267	3.048	15	108.9267	9.289	15	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	108.4287	1.801	3	108.4287	3.244	3	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	108.7660	3.039	2	108.7660	9.236	2	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(COO)(H)	108.2212	2.698	4	108.2212	7.278	4	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CHHS)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	107.1500	2.426	6	107.1500	5.884	6	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHNO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CHNO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.6105	1.160	2	109.6105	1.346	2	108.6673	4.676	446	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:O-1:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC3)(CCH)(O)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC3)(CCH)(O)	108.1811	2.947	18	108.1811	8.686	18	108.1811	8.686	18	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	112.4445	0.214	2	112.4445	0.046	2	112.4445	0.046	2	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[5]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	C(CC[5]CN)(H)3	N(CC[5]CC)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	C(CC[5]CN)(H)3	N(CC[5]CC)(CCO)(H)	107.4740	1.546	2	107.4740	2.389	2	107.4740	2.389	2	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CH3)2(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CCO)(H)	C(C[6]C[6]2H)(CH3)2(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CCO)(H)	107.3102	2.155	6	107.3102	4.642	6	107.3102	4.642	6	108.6410	4.843	482	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CCC)(CCO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CCC)(CCO)	109.7803	2.660	3	109.7803	7.073	3	109.3950	3.978	6	109.3950	3.978	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CHO)(CNO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CHO)(CNO)	109.0097	1.557	3	109.0097	2.426	3	109.3950	3.978	6	109.3950	3.978	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:Cl-1:H-1:H-1:	S-4:C-4:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(Cl)(H)2	N(SC[6a]OO)(CC3)(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(Cl)(H)2	N(SC[6a]OO)(CC3)(H)	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CRhCH)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CRhCH)(CC3)(H)	108.2753	1.974	3	108.2753	3.895	3	108.2674	6.224	5	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]C[3]H)(CC3)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CC[6a]C[3]H)(CC3)(H)	108.2555	4.136	2	108.2555	17.105	2	108.2674	6.224	5	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(O)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(O)	109.1167	2.590	3	109.1167	6.706	3	109.1167	6.706	3	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(CC3)(PN3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(CC3)(PN3)(H)	109.4010	1.974	6	109.4010	3.895	6	109.4010	3.895	6	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]3)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]3)(CC3)(H)	108.6887	2.852	3	108.6887	8.134	3	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]OO)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]OO)(CC3)(H)	110.6187	0.791	3	110.6187	0.626	3	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PCl2O)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PCl2O)(CC3)(H)	108.4193	2.875	3	108.4193	8.263	3	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNNO)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNNO)(CC3)(H)	108.9503	1.764	12	108.9503	3.111	12	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNOO)(CC3)(H)	109.0886	2.372	9	109.0886	5.625	9	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNOS)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNOS)(CC3)(H)	109.3897	1.998	3	109.3897	3.990	3	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PN[5]3)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PN[5]3)(CC3)(H)	108.1465	3.351	2	108.1465	11.229	2	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PN[6]2N)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PN[6]2N)(CC3)(H)	109.1100	2.651	3	109.1100	7.027	3	109.0572	4.260	38	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	110.9520	0.000	1	110.9520	0.000	1	109.8544	8.885	5	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SCNN)(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SCNN)(CC3)(H)	108.8290	3.692	3	108.8290	13.633	3	109.8544	8.885	5	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	111.8330	0.000	1	111.8330	0.000	1	109.8544	8.885	5	109.1067	4.529	58	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]C[6]H)(CC3)(ONi)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]C[6]H)(CC3)(ONi)	107.8557	0.776	3	107.8557	0.603	3	107.8557	0.603	3	107.8557	0.603	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	B-4:C-4:C-3:	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]MgN)(CC3)(CCN)	C(CH3)3(NBC)	C(CCCN)(H)3	N(BC[6a]MgN)(CC3)(CCN)	110.4157	3.537	3	110.4157	12.508	3	110.4157	12.508	3	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CH3)(CCO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CH3)(CCO)	109.2973	0.826	3	109.2973	0.682	3	109.8675	0.937	65	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(CCH)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(CCH)	108.6970	2.109	3	108.6970	4.447	3	109.8675	0.937	65	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(CCO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(CCO)	109.8734	0.875	41	109.8734	0.765	41	109.8675	0.937	65	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(CNO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(CNO)	110.5323	0.424	3	110.5323	0.179	3	109.8675	0.937	65	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(COO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)(CC3)(COO)	110.3840	0.809	3	110.3840	0.654	3	109.8675	0.937	65	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(CCO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(CCO)	109.9257	0.695	6	109.9257	0.483	6	109.8675	0.937	65	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(COO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(COO)	110.0483	1.234	6	110.0483	1.524	6	109.8675	0.937	65	109.8916	1.281	68	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)3(NPP)	C(CCCN)(H)3	N(PC[6a]2Fe)2(CC3)	C(CH3)3(NPP)	C(CCCN)(H)3	N(PC[6a]2Fe)2(CC3)	110.2163	0.817	3	110.2163	0.668	3	110.2163	0.668	3	110.2163	0.668	3	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	5:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]AlSeN)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]AlSeN)(CC3)(H)	108.9493	2.350	3	108.9493	5.521	3	108.9493	5.521	3	108.6990	6.101	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:1:1:1:	5:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-5:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SMgNOO)(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SMgNOO)(CC3)(H)	108.4487	3.089	3	108.4487	9.544	3	108.4487	9.544	3	108.6990	6.101	6	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]O)(CC3)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]O)(CC3)(H)	111.2320	1.037	2	111.2320	1.075	2	108.5316	8.200	59	108.5316	8.200	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	N(CC[6]H)(CC3)(H)	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	N(CC[6]H)(CC3)(H)	106.1955	0.018	2	106.1955	0.000	2	108.5316	8.200	59	108.5316	8.200	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	N(CC[6]H)(CC3)(H)	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	N(CC[6]H)(CC3)(H)	108.4760	2.866	51	108.4760	8.213	51	108.5316	8.200	59	108.5316	8.200	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]O)(CC3)(H)	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]O)(CC3)(H)	109.0577	3.518	4	109.0577	12.376	4	108.5316	8.200	59	108.5316	8.200	59	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(CH3)2(NOO)	C(CCCN)(OC)(H)2	N(CC3)(O)2	C(CHHO)(CH3)2(NOO)	C(CCCN)(OC)(H)2	N(CC3)(O)2	105.9370	0.000	1	105.9370	0.000	1	106.8370	1.620	2	106.8370	1.620	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(CH3)2(NOO)	C(CCCN)(OS)(H)2	N(CC3)(O)2	C(CHHO)(CH3)2(NOO)	C(CCCN)(OS)(H)2	N(CC3)(O)2	107.7370	0.000	1	107.7370	0.000	1	106.8370	1.620	2	106.8370	1.620	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)3(NCH)	C(CCCN)(NN)(H)2	N(CC3)(CNO)(H)	C(CHHN)3(NCH)	C(CCCN)(NN)(H)2	N(CC3)(CNO)(H)	108.6803	2.907	3	108.6803	8.449	3	108.6803	8.449	3	109.3677	11.110	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:N-2:H-1:O-1:	C-4:C-3:H-1:	C(CHNO)(CH3)2(NCH)	C(CCCN)(NH)(H)(O)	N(CC3)(CCO)(H)	C(CHNO)(CH3)2(NCH)	C(CCCN)(NH)(H)(O)	N(CC3)(CCO)(H)	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	109.3677	11.110	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CC3)(CCO)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CC3)(CCO)(H)	108.4480	0.000	1	108.4480	0.000	1	109.5980	12.781	15	109.3677	11.110	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CC3)(COO)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CC3)(COO)(H)	112.3815	0.093	2	112.3815	0.009	2	109.5980	12.781	15	109.3677	11.110	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	N(CC3)(CCO)(H)	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	N(CC3)(CCO)(H)	109.2299	3.820	12	109.2299	14.589	12	109.5980	12.781	15	109.3677	11.110	19	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(OH)(H)2	N(SC[6a]OO)(CC3)(H)	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(OH)(H)2	N(SC[6a]OO)(CC3)(H)	105.4690	0.000	1	105.4690	0.000	1	105.4690	0.000	1	108.4105	17.305	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:S-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(SS)(H)2	N(SC[6a]OO)(CC3)(H)	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(SS)(H)2	N(SC[6a]OO)(CC3)(H)	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	108.4105	17.305	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:3:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)2(CH3)(NCH)	C(CCCN)(COO)(H)2	N(CC[6a]O)(CC3)(H)	C(CCHH)2(CH3)(NCH)	C(CCCN)(COO)(H)2	N(CC[6a]O)(CC3)(H)	106.2645	0.559	2	106.2645	0.313	2	106.2645	0.313	2	108.8492	9.047	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:3:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)3(NCH)	C(CCCN)(OZnH)(H)2	N(CC[6a]O)(CC3)(H)	C(CHHO)3(NCH)	C(CCCN)(OZnH)(H)2	N(CC[6a]O)(CC3)(H)	111.4340	0.322	2	111.4340	0.104	2	111.4340	0.104	2	108.8492	9.047	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)2(CH3)(NOO)	C(CCCN)(NCC)(H)2	N(CC3)(O)2	C(CHHN)2(CH3)(NOO)	C(CCCN)(NCC)(H)2	N(CC3)(O)2	107.7225	2.304	2	107.7225	5.311	2	107.7225	5.311	2	107.7225	5.311	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCO)(H)2	N(CC3)(CCO)(H)	111.0215	0.125	4	111.0215	0.016	4	111.0215	0.016	4	111.0215	0.016	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:	C(CHHN)3(NCN)	C(CCCN)(NCoC)(H)2	N(CCHH)(CC3)(NO)	C(CHHN)3(NCN)	C(CCCN)(NCoC)(H)2	N(CCHH)(CC3)(NO)	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CC3)(H)2	N(CC[5]O)(CC3)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CC3)(H)2	N(CC[5]O)(CC3)(H)	112.7170	0.000	1	112.7170	0.000	1	112.6923	0.349	4	112.6923	0.349	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)2(NCH)	C(CC[6a]HH)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	C(CCHH)(CH3)2(NCH)	C(CC[6a]HH)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	111.8580	0.000	1	111.8580	0.000	1	112.6923	0.349	4	112.6923	0.349	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)2(CH3)(NCH)	C(CC[6a]HH)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	C(CCHH)2(CH3)(NCH)	C(CC[6a]HH)(CCCN)(H)2	N(CC[6a]O)(CC3)(H)	113.0970	0.154	2	113.0970	0.024	2	112.6923	0.349	4	112.6923	0.349	4	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(CHHN)2(NOO)	C(CCCN)(CH3)(H)2	N(CC3)(O)2	C(CCHH)(CHHN)2(NOO)	C(CCCN)(CH3)(H)2	N(CC3)(O)2	105.5630	0.000	1	105.5630	0.000	1	105.5630	0.000	1	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(CHHN)2(NOO)	C(NCuCH)(CCCN)(H)2	N(CC3)(O)2	C(CCHH)(CHHN)2(NOO)	C(NCuCH)(CCCN)(H)2	N(CC3)(O)2	108.4650	0.608	2	108.4650	0.370	2	108.1799	7.599	14	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)2(CH3)(NOO)	C(NPdCH)(CCCN)(H)2	N(CC3)(O)2	C(CHHN)2(CH3)(NOO)	C(NPdCH)(CCCN)(H)2	N(CC3)(O)2	110.4797	1.621	6	110.4797	2.628	6	108.1799	7.599	14	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHN)3(NOO)	C(NCoCH)(CCCN)(H)2	N(CC3)(O)2	C(CHHN)3(NOO)	C(NCoCH)(CCCN)(H)2	N(CC3)(O)2	105.7852	1.948	6	105.7852	3.793	6	108.1799	7.599	14	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(H)2	N(CCCP)(O)2	C(CCHH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(H)2	N(CCCP)(O)2	107.7860	0.000	1	107.7860	0.000	1	107.2767	0.494	3	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)2(PO3)(NOO)	C(CCHH)(CCNP)(H)2	N(CCCP)(O)2	C(CCHH)2(PO3)(NOO)	C(CCHH)(CCNP)(H)2	N(CCCP)(O)2	107.5690	0.000	1	107.5690	0.000	1	107.2767	0.494	3	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)2(PO3)(NOO)	C(CCNP)(CH3)(H)2	N(CCCP)(O)2	C(CCHH)2(PO3)(NOO)	C(CCNP)(CH3)(H)2	N(CCCP)(O)2	106.4750	0.000	1	106.4750	0.000	1	107.2767	0.494	3	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	S-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCHH)(CCNS)(H)2	N(CCCS)(O)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCHH)(CCNS)(H)2	N(CCCS)(O)2	110.6670	0.000	1	110.6670	0.000	1	109.8667	1.463	3	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	S-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(CCNS)(H)2	N(CCCS)(O)2	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(CCNS)(H)2	N(CCCS)(O)2	109.4665	1.402	2	109.4665	1.966	2	109.8667	1.463	3	108.1672	6.026	21	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CC3)(H)2	N(CC3)(CCO)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CC3)(H)2	N(CC3)(CCO)(H)	109.9760	2.805	3	109.9760	7.867	3	109.9214	4.069	5	110.0519	4.220	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	N(CC3)(CNS)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	N(CC3)(CNS)(H)	109.8395	0.721	2	109.8395	0.519	2	109.9214	4.069	5	110.0519	4.220	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:S-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(CH3)2(NCH)	C(CCCN)(SO3)(H)2	N(CC3)(CCO)(H)	C(CHHS)(CH3)2(NCH)	C(CCCN)(SO3)(H)2	N(CC3)(CCO)(H)	110.6463	2.181	3	110.6463	4.757	3	110.6463	4.757	3	110.0519	4.220	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(CH3)2(NCH)	C(C[5]C[5]N[5]H)(CCCN)(H)2	N(CC3)(CCO)(H)	C(CC[5]HH)(CH3)2(NCH)	C(C[5]C[5]N[5]H)(CCCN)(H)2	N(CC3)(CCO)(H)	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	110.0519	4.220	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:P-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(PO3)2(NCH)	C(CNPP)(CH3)(H)2	N(CCPP)(CCO)(H)	C(CCHH)(PO3)2(NCH)	C(CNPP)(CH3)(H)2	N(CCPP)(CCO)(H)	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	110.0519	4.220	10	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:C-4:N-2:	C(CHHN)3(NCN)	C(NCoCH)(CCCN)(H)2	N(CCHH)(CC3)(NO)	C(CHHN)3(NCN)	C(NCoCH)(CCCN)(H)2	N(CCHH)(CC3)(NO)	106.9610	1.583	2	106.9610	2.504	2	106.9610	2.504	2	106.9610	2.504	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:3:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:N-3:H-1:	C-4:O-1:O-1:	C(CCHN)(CH3)2(NOO)	C(CC[6a]HH)(CCCN)(NOO)(H)	N(CC3)(O)2	C(CCHN)(CH3)2(NOO)	C(CC[6a]HH)(CCCN)(NOO)(H)	N(CC3)(O)2	106.2980	0.000	1	106.2980	0.000	1	106.2980	0.000	1	106.2980	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:3:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CHHO)(CCH)(H)	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CHHO)(CCH)(H)	N(CC3)(SCO)(H)	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:4:1:	4:1:1:	C-4:C-4:C-4:N-3:	C[5]-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CC[5]CH)(CH3)2(NOO)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	N(CC3)(O)2	C(CC[5]CH)(CH3)2(NOO)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	N(CC3)(O)2	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	107.2280	0.060	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:4:1:	4:1:1:	C-4:C-4:P-4:N-3:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(CHHN)(H)	N(CCCP)(O)2	C(CCCH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(CHHN)(H)	N(CCCP)(O)2	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.2280	0.060	2	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	N(CC3)(SCO)(H)	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:4:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	N(SC[6a]OO)(CC3)(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	N(SC[6a]OO)(CC3)(H)	104.2980	0.000	1	104.2980	0.000	1	104.2980	0.000	1	104.2980	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:4:2:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:N-2:	C-3:C-4:H-1:	C(CCCN)(CH3)2(NCH)	C(CCCN)(CH3)2(NC)	N(CC[6a]O)(CC3)(H)	C(CCCN)(CH3)2(NCH)	C(CCCN)(CH3)2(NC)	N(CC[6a]O)(CC3)(H)	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP2_SP3	C	C	N	4:4:4:3:	4:4:4:3:	4:2:2:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:N-3:	C-4:N-2:O-2:	C(CCCN)(CH3)2(NNO)	C(CCCN)(CH3)2(NNO)	N(CC3)(NO)(OC)	C(CCCN)(CH3)2(NNO)	C(CCCN)(CH3)2(NNO)	N(CC3)(NO)(OC)	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	111.2582	5.567	17298	111.2582	5.567	17298
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:3:4:	4:1:1:1:	3:4:1:	C[5a]-3:C[5a]-3:N-3:C-4:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C(CC[5a]2N)(F)3	N(C[6a]C[6a]2)(CC[5a]2C)(H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C(CC[5a]2N)(F)3	N(C[6a]C[6a]2)(CC[5a]2C)(H)	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:3:4:	4:1:1:1:	4:3:1:	C[5a]-3:C[6a]-3:N-3:C-4:	C-4:F-1:F-1:F-1:	C-4:C[6a]-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C(CC[5a]C[6a]N)(F)3	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C(CC[5a]C[6a]N)(F)3	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	103.7810	0.000	1	103.7810	0.000	1	103.7810	0.000	1	103.7810	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	3:4:1:1:	3:4:4:	C-3:N-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C(NC[6a]C)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C(NC[6a]C)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.2060	0.000	1	108.2060	0.000	1	108.5390	0.242	3	108.5390	0.242	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.1040	0.000	1	109.1040	0.000	1	108.5390	0.242	3	108.5390	0.242	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.3070	0.000	1	108.3070	0.000	1	108.5390	0.242	3	108.5390	0.242	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2Fe)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2Fe)(CC[6a]CH)(H)	108.2635	0.271	2	108.2635	0.073	2	108.2635	0.073	2	108.5994	1.682	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2C)(CC[6a]CH)(H)	112.1370	0.000	1	112.1370	0.000	1	108.6409	2.448	7	108.5994	1.682	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(H)	108.0582	0.292	6	108.0582	0.085	6	108.6409	2.448	7	108.5994	1.682	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(P[6]O[6]2O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	N(P[6]O[6]2O)(CC[6a]CH)(H)	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.5994	1.682	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	113.7610	1.577	9	113.7610	2.488	9	113.7610	2.488	9	112.8853	5.109	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	116.4080	2.244	2	116.4080	5.037	2	113.0922	5.897	11	112.8853	5.109	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	112.3553	1.839	9	112.3553	3.383	9	113.0922	5.897	11	112.8853	5.109	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:1:1:1:	4:4:4:	N-3:N-3:C-4:H-1:	C-4:Cl-1:Cl-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)2(CCl2H)(H)	C(CHNN)(Cl)2(H)	N(C[5]C[5]2Fe)(CCHH)(CCHN)	C(NC[5]C)2(CCl2H)(H)	C(CHNN)(Cl)2(H)	N(C[5]C[5]2Fe)(CCHH)(CCHN)	110.3460	1.350	4	110.3460	1.822	4	110.3460	1.822	4	112.8853	5.109	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:2:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	108.6860	0.977	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:2:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	108.6860	0.977	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:2:1:1:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C(CC[6a]HN)(OSi)(H)2	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C(CC[6a]HN)(OSi)(H)2	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:2:1:1:	4:4:4:	N-3:N-3:C-4:H-1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)2(CCHH)(H)	C(CHNN)(CN)(H)2	N(C[5]C[5]2Fe)(CCHH)(CCHN)	C(NC[5]C)2(CCHH)(H)	C(CHNN)(CN)(H)2	N(C[5]C[5]2Fe)(CCHH)(CCHN)	110.6505	0.084	2	110.6505	0.007	2	110.6505	0.007	2	110.6505	0.007	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	105.7000	0.000	1	105.7000	0.000	1	105.7000	0.000	1	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[5a]C[5a]N[5a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[5a]C[5a]N[5a])(CC[6a]CH)(H)	111.2650	1.714	2	111.2650	2.938	2	111.2650	2.938	2	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCC)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCC)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.7220	0.000	1	109.7220	0.000	1	109.2099	1.005	7	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.2400	0.000	1	108.2400	0.000	1	109.2099	1.005	7	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.3140	0.020	2	109.3140	0.000	2	109.2099	1.005	7	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	110.9730	0.000	1	110.9730	0.000	1	109.2099	1.005	7	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	107.9280	0.000	1	107.9280	0.000	1	109.2099	1.005	7	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.9780	0.000	1	108.9780	0.000	1	109.2099	1.005	7	109.2699	3.300	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	4:4:1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	C(CC[5a]HN)(CCC)(H)2	N(C[5]C[5,6a]C[5]H)(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	C(CC[5a]HN)(CCC)(H)2	N(C[5]C[5,6a]C[5]H)(CC[5a]CH)(H)	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:1:1:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:2:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.0900	0.000	1	109.0900	0.000	1	107.5650	4.651	2	107.5650	4.651	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:2:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OSi)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OSi)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	106.0400	0.000	1	106.0400	0.000	1	107.5650	4.651	2	107.5650	4.651	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:2:1:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:3:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(COO)2(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(COO)2(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:4:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.0320	0.000	1	109.0320	0.000	1	109.5085	0.454	2	109.5085	0.454	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:3:4:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.9850	0.000	1	109.9850	0.000	1	109.5085	0.454	2	109.5085	0.454	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CCHO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CCHO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	111.2693	2.597	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.0100	0.000	1	109.0100	0.000	1	111.2056	3.216	5	111.2693	2.597	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	112.0865	0.125	2	112.0865	0.016	2	111.2056	3.216	5	111.2693	2.597	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.2090	0.000	1	113.2090	0.000	1	111.2056	3.216	5	111.2693	2.597	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.6360	0.000	1	109.6360	0.000	1	111.2056	3.216	5	111.2693	2.597	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:1:1:	3:4:2:	C-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(OH)	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(OH)	112.8420	0.000	1	112.8420	0.000	1	112.8420	0.000	1	112.8420	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:2:1:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.1815	0.113	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:2:1:	3:4:1:	N-3:N-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)2(CCHO)(H)	C(CHHO)(CHNN)(OH)(H)	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CCHO)(H)	C(CHHO)(CHNN)(OH)(H)	N(C[5a]N[5a]S[5a])(CCHN)(H)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	109.1815	0.113	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:3:3:	3:4:2:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CCHH)(COO)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CCHH)(COO)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	109.3300	0.000	1	109.3300	0.000	1	110.2090	1.545	2	110.2090	1.545	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:1:	4:4:3:3:	3:4:2:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CC[5]HH)(COO)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CC[5]HH)(COO)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	111.0880	0.000	1	111.0880	0.000	1	110.2090	1.545	2	110.2090	1.545	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:2:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:2:	4:4:4:1:	4:4:4:	C[6a]-3:N-3:C-4:C-2:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CC[6a]CN)(CHHN)(CC3)(H)	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CC[6a]CN)(CHHN)(CC3)(H)	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	3:4:4:1:	4:3:1:	C[6a]-3:C[6a]-3:C-4:N-3:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N(CC[6a]2C)(CC[6a]O)(H)	104.2060	0.071	2	104.2060	0.005	2	104.2060	0.005	2	104.2060	0.005	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	4:1:1:1:	3:4:2:	C[6a]-3:N-3:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	106.3140	0.000	1	106.3140	0.000	1	106.3140	0.000	1	106.3140	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	4:1:1:1:	4:3:1:	C[5a]-3:C[5a]-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	C(CC[5a]2N)(H)3	N(CC[5a]2C)(SCO)(H)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	C(CC[5a]2N)(H)3	N(CC[5a]2C)(SCO)(H)	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	113.3050	0.264	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CH3)(NCH)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(CCC)(H)	C(C[6a]C[6a]2)2(CH3)(NCH)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(CCC)(H)	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	113.3050	0.264	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	4:1:1:1:	4:4:1:	C[5a]-3:C[6a]-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C(CC[5a]C[6a]N)(H)3	N(CC[5a]C[6a]C)(SC[6a]OO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C(CC[5a]C[6a]N)(H)3	N(CC[5a]C[6a]C)(SC[6a]OO)(H)	109.8030	0.021	2	109.8030	0.000	2	109.8030	0.000	2	109.8030	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	4:3:1:1:	3:4:4:	C[6a]-3:N-3:C-4:C-3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	C(CC[6a]CN)(NC[6a]C)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	C(CC[6a]CN)(NC[6a]C)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	4:4:1:1:	4:1:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[6a]2N)(CCHH)(H)2	N(CC[6a]2C)(H)2	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[6a]2N)(CCHH)(H)2	N(CC[6a]2C)(H)2	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:3:	4:4:3:1:	4:1:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)2(CCCH)(NHH)	C(CC[6a]2N)(CHHP)(COO)(H)	N(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CCCH)(NHH)	C(CC[6a]2N)(CHHP)(COO)(H)	N(CC[6a]2C)(H)2	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:4:	4:1:1:1:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	109.7403	3.136	4	109.7403	9.835	4	109.7403	9.835	4	109.1761	7.904	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:3:4:4:	4:1:1:1:	3:4:1:	N-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)2(CH3)2	C(CCNN)(H)3	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	C(NC[6a]H)2(CH3)2	C(CCNN)(H)3	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	108.6120	2.785	4	108.6120	7.759	4	108.6120	7.759	4	109.1761	7.904	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.5785	2.590	2	112.5785	6.709	2	112.5785	6.709	2	111.9103	4.694	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	111.9103	4.694	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	2:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	111.4705	2.543	4	111.4705	6.465	4	111.4705	6.465	4	111.4705	6.465	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	2:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	C(NC[5]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	109.7815	0.711	2	109.7815	0.505	2	109.7815	0.505	2	109.7815	0.505	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:3:4:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-3:N-3:C-4:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	112.1880	0.000	1	112.1880	0.000	1	112.1880	0.000	1	112.1880	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	111.1230	0.000	1	111.1230	0.000	1	110.2463	0.947	3	110.2463	0.947	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	109.8080	0.861	2	109.8080	0.742	2	110.2463	0.947	3	110.2463	0.947	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	113.6954	0.277	5	113.6954	0.077	5	112.5604	4.026	7	112.5604	4.026	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	109.7230	1.144	2	109.7230	1.309	2	112.5604	4.026	7	112.5604	4.026	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	113.6535	1.545	2	113.6535	2.387	2	112.9421	0.939	7	112.9421	0.939	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	112.6576	0.676	5	112.6576	0.457	5	112.9421	0.939	7	112.9421	0.939	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	N(C[5]C[5]2H)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	N(C[5]C[5]2H)(CCHH)(H)	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	110.3239	0.235	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	110.3640	0.497	9	110.3640	0.247	9	110.3640	0.247	9	110.3239	0.235	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[3x6]-4:C-4:C-4:	C(NC[3x6]C)(CHHN)(H)2	C(NC[3x6]C)(CHHN)(H)2	N(C[3x6]C[6,6]3)(CCHH)2	C(NC[3x6]C)(CHHN)(H)2	C(NC[3x6]C)(CHHN)(H)2	N(C[3x6]C[6,6]3)(CCHH)2	113.6467	1.435	6	113.6467	2.058	6	113.6467	2.058	6	113.4214	2.070	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CHHN)(H)2	C(NC[6]C)(CHHN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C(NC[6]C)(CHHN)(H)2	C(NC[6]C)(CHHN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	113.4214	2.070	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	3:4:3:3:	3:4:4:	N-3:C-4:H-1:H-1:	N-3:C-4:C-3:C-3:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCCN)(H)2	C(NC[6a]C)(CHHN)(CCO)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCCN)(H)2	C(NC[6a]C)(CHHN)(CCO)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	N[5]-3:C-4:H-1:	C(NN[5]H)(CF3)(H)2	C(CHHN)(F)3	N(N[5]C[5]2)(CCHH)(H)	C(NN[5]H)(CF3)(H)2	C(CHHN)(F)3	N(N[5]C[5]2)(CCHH)(H)	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	110.3417	1.484	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]2)(CCHH)(H)	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	110.3417	1.484	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	110.1430	0.458	2	110.1430	0.210	2	110.2436	0.214	5	110.3417	1.484	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(H)	110.3107	0.553	3	110.3107	0.305	3	110.2436	0.214	5	110.3417	1.484	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-3:	C(NN[3]C)(CH3)(H)2	C(CHHN)(H)3	N(N[3]C[3]2)(CCHH)(COO)	C(NN[3]C)(CH3)(H)2	C(CHHN)(H)3	N(N[3]C[3]2)(CCHH)(COO)	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1	112.9745	2.236	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	112.6230	0.000	1	112.6230	0.000	1	113.4363	2.580	16	112.9745	2.236	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)2	114.1478	1.650	10	114.1478	2.723	10	113.4363	2.580	16	112.9745	2.236	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	111.8890	0.000	1	111.8890	0.000	1	113.4363	2.580	16	112.9745	2.236	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]N[6a]2)(CCHH)2	112.2477	0.373	4	112.2477	0.139	4	113.4363	2.580	16	112.9745	2.236	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.4405	1.497	4	112.4405	2.241	4	112.4405	2.241	4	112.9745	2.236	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:	C(NN[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(N[5a]C[5a]N[5a])(CCHH)2	C(NN[5a]C)(CH3)(H)2	C(CHHN)(H)3	N(N[5a]C[5a]N[5a])(CCHH)2	112.0815	0.618	8	112.0815	0.382	8	112.0815	0.382	8	112.9745	2.236	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	110.6797	0.240	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:H-1:	C(NGa[6]H)(CH3)(H)2	C(CHHN)(H)3	N(Ga[6]N[6]2O)(CCHH)(H)	C(NGa[6]H)(CH3)(H)2	C(CHHN)(H)3	N(Ga[6]N[6]2O)(CCHH)(H)	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.6797	0.240	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)(H)2	C(CHHN)(H)3	N(P[6]N[6]2Cl)(CCHH)(H)	C(NP[6]H)(CH3)(H)2	C(CHHN)(H)3	N(P[6]N[6]2Cl)(CCHH)(H)	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	110.6797	0.240	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Y)(CCHH)2	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	N(B[6]C[6]2Y)(CCHH)2	116.1320	0.839	2	116.1320	0.703	2	116.1320	0.703	2	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Si-4:	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(SiC3)	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(SiC3)	115.1350	0.590	4	115.1350	0.348	4	115.1350	0.348	4	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3,3]-4:C-4:C-4:	C(NC[3,3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	C(NC[3,3]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	112.0885	0.958	2	112.0885	0.918	2	112.0885	0.918	2	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:C-4:	C(NC[3,6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	C(NC[3,6]C)(CH3)(H)2	C(CHHN)(H)3	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	114.2820	3.384	2	114.2820	11.453	2	114.2820	11.453	2	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4,5]C[4]H)(CCHH)2	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4,5]C[4]H)(CCHH)2	115.5300	3.340	2	115.5300	11.158	2	115.5300	11.158	2	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:S-4:C-4:	C(NC[6]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C(NC[6]S)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:	C(NGeC)(CH3)(H)2	C(CHHN)(H)3	N(GeCCN)(CCHH)2	C(NGeC)(CH3)(H)2	C(CHHN)(H)3	N(GeCCN)(CCHH)2	114.6055	0.717	4	114.6055	0.515	4	114.6055	0.515	4	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C(NP[5]2)(CH3)(H)2	C(CHHN)(H)3	N(P[5]S[5]2S)2(CCHH)	C(NP[5]2)(CH3)(H)2	C(CHHN)(H)3	N(P[5]S[5]2S)2(CCHH)	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]C[5,6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	N(P[6]C[5,6]2O)(CCHH)2	113.5975	0.614	2	113.5975	0.378	2	113.5975	0.378	2	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(SiC[6a]LiN)(CCHH)2	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	N(SiC[6a]LiN)(CCHH)2	114.6565	0.706	4	114.6565	0.498	4	114.6565	0.498	4	114.4502	2.453	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:1:1:1:	6:4:4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[5]-6:C-4:C-4:	C(NSi[5]C)(CH3)(H)2	C(CHHN)(H)3	N(Si[5]C[5]2Li2N)(CCHH)2	C(NSi[5]C)(CH3)(H)2	C(CHHN)(H)3	N(Si[5]C[5]2Li2N)(CCHH)2	115.2195	0.385	4	115.2195	0.148	4	115.2195	0.148	4	115.2195	0.148	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	111.9653	2.781	3	111.9653	7.731	3	110.5222	6.609	6	110.3073	5.831	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	110.2260	0.000	1	110.2260	0.000	1	110.5222	6.609	6	110.3073	5.831	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	108.5055	1.764	2	108.5055	3.113	2	110.5222	6.609	6	110.3073	5.831	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:	C(NN[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(N[5]C[5,6]C[5])(CCHH)(H)	C(NN[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(N[5]C[5,6]C[5])(CCHH)(H)	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	110.3073	5.831	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)2	112.6859	1.033	7	112.6859	1.066	7	112.6859	1.066	7	112.5183	0.942	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:S-4:	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(SCOO)	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	112.5183	0.942	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.5183	0.942	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:	C(NC[6,6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6,6]C[3x6]2H)(CCHH)(H)	C(NC[6,6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6,6]C[3x6]2H)(CCHH)(H)	109.9840	0.000	1	109.9840	0.000	1	109.9840	0.000	1	109.9840	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:2:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:S-4:C-4:	C(NC[6]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C(NC[6]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	111.6950	1.747	2	111.6950	3.050	2	111.6950	3.050	2	111.6950	3.050	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	110.5085	9.079	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]N[6])(CCHH)(H)	107.9360	1.035	4	107.9360	1.070	4	107.9360	1.070	4	110.5085	9.079	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	110.8410	3.782	4	110.8410	14.301	4	111.1246	7.801	9	110.5085	9.079	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.9718	2.313	4	110.9718	5.348	4	111.1246	7.801	9	110.5085	9.079	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.8700	0.000	1	112.8700	0.000	1	111.1246	7.801	9	110.5085	9.079	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	112.1460	0.000	1	112.1460	0.000	1	112.1460	0.000	1	112.4088	0.568	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	C(NC[5a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.4088	0.568	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.0240	0.355	2	113.0240	0.126	2	112.4400	1.086	3	112.4088	0.568	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6a]C[6a]N[6a])(CCHH)2	111.2720	0.000	1	111.2720	0.000	1	112.4400	1.086	3	112.4088	0.568	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6]C[6]2H)(CCHH)(H)	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6]C[6]2H)(CCHH)2	C(NC[6]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(C[6]C[6]2H)(CCHH)2	111.7455	1.101	2	111.7455	1.212	2	111.7455	1.212	2	112.1838	1.490	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:S-4:C-4:	C(NC[6]S)(CHHN)(H)2	C(CHHN)(NCS)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C(NC[6]S)(CHHN)(H)2	C(CHHN)(NCS)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	113.4340	1.089	2	113.4340	1.186	2	113.4340	1.186	2	112.1838	1.490	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ge-4:C-4:Si-4:	C(NGeSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GeC[6a]NN)(CCHH)(SiC3)	C(NGeSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GeC[6a]NN)(CCHH)(SiC3)	111.3720	0.475	2	111.3720	0.226	2	111.3720	0.226	2	112.1838	1.490	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:3:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:F-1:	N[5a]-3:C-4:H-1:	C(NN[5a]H)(CFNN)(H)2	C(CHHN)(NOO)2(F)	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CFNN)(H)2	C(CHHN)(NOO)2(F)	N(N[5a]C[5a]2)(CCHH)(H)	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:3:3:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]C[5a]N[5a])(CCHH)(H)	111.4950	0.000	1	111.4950	0.000	1	112.0780	0.680	2	110.5023	2.057	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:3:3:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]N[5a]2)(CCHH)(H)	112.6610	0.000	1	112.6610	0.000	1	112.0780	0.680	2	110.5023	2.057	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:3:3:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	N[5a]-3:C-4:H-1:	C(NN[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(N[5a]C[5a]2)(CCHH)(H)	109.3560	1.069	2	109.3560	1.143	2	110.0521	1.565	7	110.5023	2.057	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:3:3:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	N[5a]-3:C-4:H-1:	C(NN[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(N[5a]C[5a]N[5a])(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	N(N[5a]C[5a]N[5a])(CCHH)(H)	110.3306	1.313	5	110.3306	1.723	5	110.0521	1.565	7	110.5023	2.057	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:3:3:3:	3:4:3:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C[5a]-3:C-4:N-3:	C(NC[5a]N)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	C(NC[5a]N)(CN3)(H)2	C(CHHN)(NOO)3	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(NC[6]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(C[6]C[6]N[6])2(CCHH)	C(NC[6]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(C[6]C[6]N[6])2(CCHH)	109.9940	0.000	1	109.9940	0.000	1	109.9940	0.000	1	111.5903	1.722	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	111.5903	1.722	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)2(CCHH)	111.4043	0.958	10	111.4043	0.918	10	111.4968	1.128	13	111.5903	1.722	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N(C[6a]C[6a]N[6a])2(CCHH)	113.4470	0.000	1	113.4470	0.000	1	111.4968	1.128	13	111.5903	1.722	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	110.9845	0.928	2	110.9845	0.862	2	111.4968	1.128	13	111.5903	1.722	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCFH)(H)2	C(CN[5a]HH)(CHHN)(F)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCFH)(H)2	C(CN[5a]HH)(CHHN)(F)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5a]N[5a]2)(CCHH)(H)	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.8395	2.725	4	112.8395	7.424	4	112.5222	4.328	9	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)(H)	111.9150	0.000	1	111.9150	0.000	1	112.5222	4.328	9	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.1400	0.000	1	112.1400	0.000	1	112.5222	4.328	9	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.1890	3.326	2	112.1890	11.064	2	112.5222	4.328	9	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(H)	112.9090	0.000	1	112.9090	0.000	1	112.5222	4.328	9	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	112.4157	4.067	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:S-4:C-4:	C(NC[5]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CCHH)	C(NC[5]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CCHH)	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:S-4:C-4:	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	113.8598	1.462	5	113.8598	2.137	5	114.0555	2.493	16	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	112.3970	1.356	2	112.3970	1.839	2	114.0555	2.493	16	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	114.3190	0.567	2	114.3190	0.322	2	114.0555	2.493	16	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	112.3395	0.026	2	112.3395	0.001	2	114.0555	2.493	16	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)	115.4956	1.071	5	115.4956	1.148	5	114.0555	2.493	16	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	112.1380	0.000	1	112.1380	0.000	1	112.1380	0.000	1	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	3:4:4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)2	114.4965	0.124	2	114.4965	0.015	2	114.4965	0.015	2	113.8875	2.221	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C[6a]-3:C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6a]N[5]H)(CCHH)(H)	108.3200	3.363	2	108.3200	11.310	2	108.3200	11.310	2	111.3061	7.917	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]N[5,6]C[6]H)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]N[5,6]C[6]H)(CCHH)(H)	109.6740	0.000	1	109.6740	0.000	1	112.2310	5.776	6	111.3061	7.917	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	113.4427	2.872	3	113.4427	8.247	3	112.2310	5.776	6	111.3061	7.917	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	111.0350	0.000	1	111.0350	0.000	1	112.2310	5.776	6	111.3061	7.917	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]2H)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]2H)(CCHH)(H)	112.3490	0.000	1	112.3490	0.000	1	112.2310	5.776	6	111.3061	7.917	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2N)(CCHH)(H)	C(NP[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2N)(CCHH)(H)	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	111.3061	7.917	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:2:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:	C(NC[5]O)(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(C[5]C[5]O[5]H)(CCHH)(OC)	C(NC[5]O)(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(C[5]C[5]O[5]H)(CCHH)(OC)	118.3970	0.000	1	118.3970	0.000	1	118.4250	0.002	2	116.3677	12.699	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:2:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:	C(NC[5]O)(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(C[5]C[5]O[5]H)(CCHH)(OH)	C(NC[5]O)(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(C[5]C[5]O[5]H)(CCHH)(OH)	118.4530	0.000	1	118.4530	0.000	1	118.4250	0.002	2	116.3677	12.699	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:2:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:	C(NC[6]O)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]O[6]H)(CCHH)(OC)	C(NC[6]O)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]O[6]H)(CCHH)(OC)	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	116.3677	12.699	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CPtN)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CPtN)	115.7560	0.000	1	115.7560	0.000	1	115.7560	0.000	1	115.7560	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3]-4:S-4:C-4:	C(NC[3]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[3]C[3]2H)(SC[6a]OO)(CCHH)	C(NC[3]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[3]C[3]2H)(SC[6a]OO)(CCHH)	112.3650	0.659	2	112.3650	0.434	2	112.3650	0.434	2	113.4782	2.378	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:C-4:	C(NC[6,6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	C(NC[6,6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	112.1570	1.454	2	112.1570	2.114	2	112.1570	2.114	2	113.4782	2.378	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	115.1050	0.000	1	115.1050	0.000	1	114.8115	2.833	6	113.4782	2.378	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2	112.9345	1.452	2	112.9345	2.107	2	114.8115	2.833	6	113.4782	2.378	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C(NC[6]C)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	115.9650	0.683	3	115.9650	0.467	3	114.8115	2.833	6	113.4782	2.378	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:C-4:	C(NP[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(NP[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	112.7980	0.659	5	112.7980	0.434	5	112.7980	0.434	5	113.4782	2.378	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:1:1:	4:4:4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2	113.6130	0.788	2	113.6130	0.620	2	113.6130	0.620	2	113.4782	2.378	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:2:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5a]-3:C[6a]-3:C-4:	C(NC[5a]C[6a])(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:2:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHO)(H)2	C(CCHO)(CHHN)(OSi)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C(CCHO)(CHHN)(OSi)(H)	N(C[6a]C[6a]2)(CCHH)(H)	112.8710	0.000	1	112.8710	0.000	1	114.8905	8.157	2	114.8905	8.157	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:2:1:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHO)(H)2	C(CHHN)2(OH)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C(CHHN)2(OH)(H)	N(C[6a]C[6a]2)(CCHH)(H)	116.9100	0.000	1	116.9100	0.000	1	114.8905	8.157	2	114.8905	8.157	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:2:1:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:S-4:C-4:	C(NC[6]S)(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C(NC[6]S)(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:3:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CCH)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	113.0503	4.054	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:3:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	115.1800	0.000	1	115.1800	0.000	1	113.9865	2.849	2	113.0503	4.054	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:3:1:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NOO)(H)	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NOO)(H)	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	112.7930	0.000	1	112.7930	0.000	1	113.9865	2.849	2	113.0503	4.054	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:3:1:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[3]-4:C-4:C-3:	C(NC[3]C)(CCHN)(H)2	C(CCCH)(CHHN)(NCC)(H)	N(C[3]C[3]2H)(CCHH)(COO)	C(NC[3]C)(CCHN)(H)2	C(CCCH)(CHHN)(NCC)(H)	N(C[3]C[3]2H)(CCHH)(COO)	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:3:2:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:S-2:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)(CHH)(SS)	N(C[6]C[6]2H)(CCHH)(H)	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)(CHH)(SS)	N(C[6]C[6]2H)(CCHH)(H)	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:1:	3:3:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(NC[6a]2)(CCCH)(H)2	C(CHHN)2(CH3)(H)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCCH)(H)2	C(CHHN)2(CH3)(H)	N(C[6a]C[6a]2)2(CCHH)	111.0003	0.329	3	111.0003	0.108	3	111.0003	0.108	3	111.0003	0.108	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[5]C[5]N[5]C)(CCHH)(H)	C(NC[5]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[5]C[5]N[5]C)(CCHH)(H)	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	111.2985	1.837	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:1:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6]C[6]O[6]H)(CCHH)(H)	C(NC[6]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(C[6]C[6]O[6]H)(CCHH)(H)	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	111.2985	1.837	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:2:	3:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCCO)(H)2	C(CHHN)(CH3)2(OGe)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCCO)(H)2	C(CHHN)(CH3)2(OGe)	N(C[6a]C[6a]2)(CCHH)2	110.1930	0.439	6	110.1930	0.193	6	110.1930	0.193	6	110.1930	0.193	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:2:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)2(SS)	N(C[6]C[6]2H)(CCHH)(H)	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)2(SS)	N(C[6]C[6]2H)(CCHH)(H)	112.6770	0.459	3	112.6770	0.211	3	112.6770	0.211	3	112.6770	0.211	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:H-1:	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]N[6])(CCHH)(H)	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	112.9560	4.549	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	3:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)(H)	111.7335	0.363	2	111.7335	0.132	2	111.7335	0.132	2	112.9560	4.549	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:	C(NC[5]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(H)	C(NC[5]H)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(H)	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-3:	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CCN)	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CCN)	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	115.7023	0.873	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:P-3:	C(NC[5]P)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(PCl2)	C(NC[5]P)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(PCl2)	116.4210	0.000	1	116.4210	0.000	1	116.1380	0.170	3	115.7023	0.873	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:3:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:P-3:	C(NC[5]P)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(PNN)	C(NC[5]P)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(PNN)	115.9965	0.469	2	115.9965	0.220	2	116.1380	0.170	3	115.7023	0.873	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CCHN)	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(CCHH)(CCHN)	115.1655	0.616	6	115.1655	0.380	6	115.1655	0.380	6	115.2613	0.345	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:1:1:	4:4:4:4:	4:4:4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C[3]-4:C-4:	C(NC[3]C[5])(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	C(NC[3]C[5])(CC3)(H)2	C(CHHN)(CH3)3	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	115.5485	0.547	2	115.5485	0.299	2	115.5485	0.299	2	115.2613	0.345	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHN)(CCC)(H)	C(NC[6a]C)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHN)(CCC)(H)	C(NC[6a]C)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	N(CC[5a]CH)(SC[6a]OO)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	N(CC[5a]CH)(SC[6a]OO)(H)	107.8590	0.201	2	107.8590	0.040	2	107.8590	0.040	2	108.1270	0.989	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C(C[5]C[5]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C(C[5]C[5]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	108.1270	0.989	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)	107.6590	0.000	1	107.6590	0.000	1	108.7615	2.431	2	108.1270	0.989	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CH3)(H)	109.8640	0.000	1	109.8640	0.000	1	108.7615	2.431	2	108.1270	0.989	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)(CH3)	110.4395	0.950	2	110.4395	0.902	2	110.2813	0.526	3	110.2813	0.526	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)2	109.9650	0.000	1	109.9650	0.000	1	110.2813	0.526	3	110.2813	0.526	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	3:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	115.5760	0.253	2	115.5760	0.064	2	115.5760	0.064	2	115.5760	0.064	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(H)2	107.2480	0.748	2	107.2480	0.560	2	107.2480	0.560	2	107.2480	0.560	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CCCH)(H)	111.0390	0.000	1	111.0390	0.000	1	110.3100	1.063	2	108.7511	3.951	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)2(H)	109.5810	0.000	1	109.5810	0.000	1	110.3100	1.063	2	108.7511	3.951	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	109.9670	0.000	1	109.9670	0.000	1	109.5300	0.382	2	108.7511	3.951	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	109.0930	0.000	1	109.0930	0.000	1	109.5300	0.382	2	108.7511	3.951	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(CH3)(H)	108.3700	0.000	1	108.3700	0.000	1	108.4105	0.003	2	108.7511	3.951	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)2(H)	108.4510	0.000	1	108.4510	0.000	1	108.4105	0.003	2	108.7511	3.951	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	104.7570	0.000	1	104.7570	0.000	1	104.7570	0.000	1	108.7511	3.951	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:2:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(CCHH)(CH3)	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	N(CC[6a]CH)(H)2	108.9390	0.000	1	108.9390	0.000	1	108.8380	0.020	2	108.8380	0.020	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(H)2	108.7370	0.000	1	108.7370	0.000	1	108.8380	0.020	2	108.8380	0.020	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	N(CC[6a]CH)(SCO)(H)	107.4035	2.189	4	107.4035	4.792	4	107.4035	4.792	4	109.6648	15.154	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(SCO)(H)	114.1875	0.179	2	114.1875	0.032	2	114.1875	0.032	2	109.6648	15.154	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	105.5940	0.000	1	105.5940	0.000	1	106.3150	1.040	2	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.0360	0.000	1	107.0360	0.000	1	106.3150	1.040	2	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCCH)(H)	108.8152	1.127	14	108.8152	1.270	14	109.0455	3.085	22	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCHH)(H)	107.7353	1.275	3	107.7353	1.624	3	109.0455	3.085	22	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CC[5]HH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CC[5]HH)(H)	107.8630	0.549	2	107.8630	0.301	2	109.0455	3.085	22	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CC[6a]HH)(H)	113.0330	0.000	1	113.0330	0.000	1	109.0455	3.085	22	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)2(H)	111.8110	2.201	2	111.8110	4.842	2	109.0455	3.085	22	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C[3x6]-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	107.9553	0.511	3	107.9553	0.261	3	107.9553	0.261	3	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.6658	2.985	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	110.4940	0.380	2	110.4940	0.145	2	110.4940	0.145	2	110.4940	0.145	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:2:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.7875	1.016	2	108.7875	1.032	2	108.7875	1.032	2	108.7875	1.032	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:2:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	N(CC[6a]CH)(SC[6a]OO)(H)	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:3:3:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	3:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(H)2	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	109.9037	1.506	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	N(CC[6a]CH)(H)2	111.0650	0.000	1	111.0650	0.000	1	111.5640	0.498	2	109.9037	1.506	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	N(CC[6a]CH)(H)2	112.0630	0.000	1	112.0630	0.000	1	111.5640	0.498	2	109.9037	1.506	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)2	109.3893	0.353	4	109.3893	0.124	4	109.3893	0.124	4	109.9037	1.506	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(CH3)(H)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	108.1122	2.826	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	N(CC[6a]CH)(PC[6a]2O)(H)	107.4830	0.086	2	107.4830	0.007	2	107.4830	0.007	2	108.1122	2.826	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	N(CC[6a]CH)(CH3)(H)	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	108.1122	2.826	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	3:4:4:2:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	N(CC[6a]CH)(PC[6a]2O)(H)	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CC[5]O)(CCCH)(H)	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	109.7195	6.864	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)(CCH)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CCH)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	109.7195	6.864	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	3:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:P-4:C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]N[5])(PC[6a]2Pd)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]N[5])(PC[6a]2Pd)(CC[6a]CH)	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)2	109.1940	0.000	1	109.1940	0.000	1	109.7718	0.881	5	109.7718	0.881	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)2	109.9163	1.018	4	109.9163	1.036	4	109.7718	0.881	5	109.7718	0.881	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)(H)	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	109.8017	4.120	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)(H)	108.0280	0.000	1	108.0280	0.000	1	108.9137	1.561	3	109.8017	4.120	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNO)(H)	110.3430	0.000	1	110.3430	0.000	1	108.9137	1.561	3	109.8017	4.120	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CNS)(H)	108.3700	0.000	1	108.3700	0.000	1	108.9137	1.561	3	109.8017	4.120	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(NCH)(H)	107.7570	0.000	1	107.7570	0.000	1	107.7570	0.000	1	109.8017	4.120	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SCO)(H)	110.8617	2.594	3	110.8617	6.731	3	110.8617	6.731	3	109.8017	4.120	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:3:2:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CNO)(OH)	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(CNO)(OH)	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(PC[6a]2O)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(PC[6a]2O)(H)	111.1500	0.000	1	111.1500	0.000	1	111.1500	0.000	1	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(SC[6a]OO)(H)	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	C(CC[5a]HN)(H)3	N(CC[5a]CH)(SC[6a]OO)(H)	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6]C[6]2)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6a]HH)(CC[6]CH)(H)	C(C[6]C[6]2)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	N(CC[6a]HH)(CC[6]CH)(H)	109.8670	0.000	2	109.8670	0.000	2	109.8670	0.000	2	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(C[6]C[6]2)(CH3)(NHS)(H)	C(CC[6]HN)(H)3	N(SC[6a]OO)(CC[6]CH)(H)	C(C[6]C[6]2)(CH3)(NHS)(H)	C(CC[6]HN)(H)3	N(SC[6a]OO)(CC[6]CH)(H)	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C(CC[6a]HN)(Br)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C(CC[6a]HN)(Br)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	108.2570	0.356	2	108.2570	0.127	2	108.2570	0.127	2	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]2H)(CC[6a]CH)(H)	107.3350	0.516	3	107.3350	0.267	3	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]2H)(CC[6a]CH)(H)	107.3324	0.680	8	107.3324	0.462	8	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(H)	108.9477	0.807	4	108.9477	0.651	4	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3]HH)(H)	108.0730	0.000	1	108.0730	0.000	1	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(H)	108.0090	0.000	1	108.0090	0.000	1	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]CH)(H)	111.4460	0.000	1	111.4460	0.000	1	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HP)(H)	109.0220	2.198	4	109.0220	4.832	4	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)(H)	108.4690	0.000	1	108.4690	0.000	1	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(H)	108.7029	1.539	7	108.7029	2.367	7	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	N(CC[6a]C[5]H)(CC[6a]CH)(H)	108.5150	0.345	2	108.5150	0.119	2	108.3278	1.931	32	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]OS)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]OS)(H)	110.6310	0.000	1	110.6310	0.000	1	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PCOS)(H)	109.4440	0.000	1	109.4440	0.000	1	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2B)(H)	109.3460	1.225	2	109.3460	1.500	2	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2N)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2N)(H)	111.4335	1.342	4	111.4335	1.801	4	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]CO)(H)	109.9840	0.000	1	109.9840	0.000	1	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]OO)(H)	110.3310	0.000	1	110.3310	0.000	1	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PNNO)(H)	110.6455	1.483	8	110.6455	2.199	8	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PO3)(H)	108.7690	0.464	2	108.7690	0.215	2	110.3759	1.891	20	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)(H)	107.4640	0.821	4	107.4640	0.674	4	107.5164	0.519	5	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SO3)(H)	107.7260	0.000	1	107.7260	0.000	1	107.5164	0.519	5	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Se)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	N(PC[6a]2Se)(CC[6a]CH)(H)	110.5385	0.152	2	110.5385	0.023	2	110.5385	0.023	2	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:1:	S-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(SFe2)(CH3)(NCH)(H)	C(CHNS)(H)3	N(CCHS)2(H)	C(SFe2)(CH3)(NCH)(H)	C(CHNS)(H)3	N(CCHS)2(H)	111.5820	0.520	2	111.5820	0.271	2	111.5820	0.271	2	109.0947	2.846	68	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(OH)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(OH)	110.7022	2.039	4	110.7022	4.157	4	110.7022	4.157	4	110.7022	4.157	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:S-4:C-4:	C(CC[6a]C)(CH3)(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)2(CCCH)	C(CC[6a]C)(CH3)(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)2(CCCH)	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:H-1:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C(CC[6a]HN)(F)2(H)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C(CC[6a]HN)(F)2(H)	N(CC[6a]CH)(SC[6a]OO)2	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)2	111.5390	0.000	1	111.5390	0.000	1	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(CH3)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(CH3)	112.4160	0.072	2	112.4160	0.005	2	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)2	113.2093	1.320	3	113.2093	1.743	3	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(CCHH)	110.3460	0.000	1	110.3460	0.000	1	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(CH3)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(CH3)	112.8595	2.220	2	112.8595	4.927	2	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CCCH)	113.1588	2.314	19	113.1588	5.353	19	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CCHH)	114.5750	0.000	1	114.5750	0.000	1	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	111.7290	3.218	4	111.7290	10.353	4	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)2	113.8365	0.063	2	113.8365	0.004	2	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHHN)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHHN)2	111.9790	1.775	5	111.9790	3.149	5	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHHP)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CHHP)2	113.0248	1.135	5	113.0248	1.287	5	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(CC[6a]HH)	115.5123	0.596	6	115.5123	0.356	6	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)3	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)3	116.0447	0.301	4	116.0447	0.091	4	113.3367	4.637	55	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PC[6a]2O)	112.7850	0.000	1	112.7850	0.000	1	112.8456	4.336	5	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PPdOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PPdOO)	113.2280	4.097	2	113.2280	16.785	2	112.8456	4.336	5	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PRhOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PRhOO)	112.4935	0.125	2	112.4935	0.016	2	112.8456	4.336	5	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)(CH3)	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(SC[6a]OO)(CH3)	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	113.2499	4.418	63	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CHHO)(CCH)(H)	C(CCHN)(OC)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(CCH)(H)	C(CCHN)(OC)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C(CC[6a]HN)(OC)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C(CC[6a]HN)(OC)(H)2	N(CC[6a]CH)(SCO)(H)	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:1:	C-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CN[5a]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CC[6a]3)(CCCH)(H)	C(CN[5a]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	N(CC[6a]3)(CCCH)(H)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	107.2717	0.775	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCHH)(H)	106.7010	0.000	1	106.7010	0.000	1	106.8577	0.133	3	107.2717	0.775	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[5]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[5]CH)(H)	106.5970	0.000	1	106.5970	0.000	1	106.8577	0.133	3	107.2717	0.775	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]C[5]H)(CC[6a]CH)(H)	107.2750	0.000	1	107.2750	0.000	1	106.8577	0.133	3	107.2717	0.775	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:4:	C-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CC[6]H)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	C(CC[6]H)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	116.5400	0.000	2	116.5400	0.000	2	116.5400	0.000	2	113.8413	15.762	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OB)(H)2	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OB)(H)2	N(CC[6a]CH)(CC[6a]HH)2	110.9510	0.000	1	110.9510	0.000	1	114.3170	8.497	3	113.8413	15.762	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OC)(H)2	N(CC[6a]CH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OC)(H)2	N(CC[6a]CH)(CC[6a]HH)(CH3)	116.0000	0.000	2	116.0000	0.000	2	114.3170	8.497	3	113.8413	15.762	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:2:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	113.8413	15.762	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)(COO)(H)	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)(COO)(H)	110.5370	2.135	4	110.5370	4.559	4	110.5370	4.559	4	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:Cl-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)2	N(CC[6a]CH)(SCO)(H)	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	N(CC[6a]CH)(NCH)(H)	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C(CC[6a]HN)(CCH)(F)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C(CC[6a]HN)(CCH)(F)(H)	N(CC[6a]CH)(COO)(H)	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(CCO)(F)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(CCO)(F)(H)	N(CC[6a]CH)(SCO)(H)	110.5677	3.346	3	110.5677	11.193	3	109.4274	8.156	5	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(COO)(F)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(COO)(F)(H)	N(CC[6a]CH)(SCO)(H)	107.7170	0.697	2	107.7170	0.486	2	109.4274	8.156	5	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(SCO)(H)	108.4400	0.000	1	108.4400	0.000	1	109.2732	2.712	5	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCO)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCO)(H)2	N(CC[6a]CH)(SCO)(H)	108.1300	0.000	1	108.1300	0.000	1	109.2732	2.712	5	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCO)(H)2	N(CC[6a]CH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCO)(H)2	N(CC[6a]CH)(SC[6a]O)(H)	111.7860	0.000	1	111.7860	0.000	1	109.2732	2.712	5	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCS)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCS)(H)2	N(CC[6a]CH)(SCO)(H)	110.0980	0.000	1	110.0980	0.000	1	109.2732	2.712	5	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	N(CC[6a]CH)(SCO)(H)	107.9120	0.000	1	107.9120	0.000	1	109.2732	2.712	5	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NOO)(H)2	N(CC[6a]CH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NOO)(H)2	N(CC[6a]CH)(SC[6a]O)(H)	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	109.6840	4.005	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:3:2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C(CC[6a]HN)(CCC)(H)2	N(CC[6a]CH)(CCO)(OC)	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C(CC[6a]HN)(CCC)(H)2	N(CC[6a]CH)(CCO)(OC)	109.7165	0.568	2	109.7165	0.322	2	109.7165	0.322	2	109.7165	0.322	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]O)(CCHH)(NHS)(H)	C(CCHN)(CCC)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]O)(CCHH)(NHS)(H)	C(CCHN)(CCC)(H)2	N(SC[6a]OO)(CCCH)(H)	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C(CC[6]HN)(COO)(H)2	N(CC[6a]CH)(CC[6]CH)(H)	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C(CC[6]HN)(COO)(H)2	N(CC[6a]CH)(CC[6]CH)(H)	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)	109.6620	0.000	1	109.6620	0.000	1	110.9801	0.392	8	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[5]N)(H)2	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[5]N)(H)2	N(CC[6a]CH)(CCHH)(H)	110.9140	0.000	1	110.9140	0.000	1	110.9801	0.392	8	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)2(H)	111.2108	0.370	6	111.2108	0.137	6	110.9801	0.392	8	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	112.2297	2.788	3	112.2297	7.771	3	111.3025	8.619	4	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	108.5210	0.000	1	108.5210	0.000	1	111.3025	8.619	4	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NCC)(H)2	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NCC)(H)2	N(CC[6a]CH)2(H)	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:1:	N-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CHHN)(COO)(H)	C(CCHN)(NCC)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C(NC[6]H)(CHHN)(COO)(H)	C(CCHN)(NCC)(H)2	N(C[6]C[6]2H)(CCCH)(H)	113.3900	0.000	1	113.3900	0.000	1	113.3900	0.000	1	110.9209	3.456	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C(CC[6a]HN)(NC[6a]C)(H)2	N(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C(CC[6a]HN)(NC[6a]C)(H)2	N(CC[6a]CH)(CC[6a]HH)(OH)	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:S-3:	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C(CC[6a]HN)(PC[6a]2)(H)2	N(CC[6a]CH)(CH3)(SCO)	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C(CC[6a]HN)(PC[6a]2)(H)2	N(CC[6a]CH)(CH3)(SCO)	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	115.4810	0.000	1	115.4810	0.000	1	113.1552	10.109	6	113.1552	10.109	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CH3)	116.2905	0.114	2	116.2905	0.013	2	113.1552	10.109	6	113.1552	10.109	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	110.0630	0.000	1	110.0630	0.000	1	113.1552	10.109	6	113.1552	10.109	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)2(CC[6a]HH)	110.4030	0.868	2	110.4030	0.754	2	113.1552	10.109	6	113.1552	10.109	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.9830	0.424	3	108.9830	0.180	3	108.9830	0.180	3	109.1670	0.255	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:O-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.1670	0.255	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(NNiC)(COO)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(NNiC)(COO)(H)	N(CC[6a]CH)(COO)(H)	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:4:1:	C-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	S-4:C-4:H-1:	C(CC[6a]O)(CCCH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]O)(CCCH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	N(SC[6a]OO)(CCCH)(H)	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.6230	2.583	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCH)(COO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCH)(COO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	108.6230	2.583	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NCH)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NCH)(H)	N(CC[6a]CH)2(H)	109.9425	0.677	2	109.9425	0.458	2	109.9425	0.458	2	108.6230	2.583	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	108.6230	2.583	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.1780	0.000	1	107.1780	0.000	1	109.3005	9.010	2	109.3005	9.010	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:3:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(CC[6a]CH)(SC[5a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	N(CC[6a]CH)(SC[5a]OO)(H)	111.4230	0.000	1	111.4230	0.000	1	109.3005	9.010	2	109.3005	9.010	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	109.4310	0.000	1	109.4310	0.000	1	110.3915	1.845	2	110.3915	1.845	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHN)(CCHO)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHN)(CCHO)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	111.3520	0.000	1	111.3520	0.000	1	110.3915	1.845	2	110.3915	1.845	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C(CC[6a]CO)(CC[6a]HN)(H)2	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C(CC[6a]CO)(CC[6a]HN)(H)2	N(CC[6a]CH)(H)2	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	N(CC[6a]CH)(COO)(H)	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(SCO)(H)	110.6660	0.000	1	110.6660	0.000	1	109.8154	1.574	7	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	N(CC[6a]CH)(SCO)(H)	111.8010	0.000	1	111.8010	0.000	1	109.8154	1.574	7	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	108.4320	0.000	1	108.4320	0.000	1	109.8154	1.574	7	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SCO)(H)	110.4950	0.000	1	110.4950	0.000	1	109.8154	1.574	7	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(H)2	N(CC[6a]CH)(SCO)(H)	109.4890	0.058	2	109.4890	0.003	2	109.8154	1.574	7	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	N(CC[6a]CH)(SCO)(H)	108.3360	0.000	1	108.3360	0.000	1	109.8154	1.574	7	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:Cl-1:Cl-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(Cl)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(Cl)2	N(CC[6a]CH)(SCO)(H)	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	N(CC[6a]CH)(SCO)(H)	110.0915	0.763	2	110.0915	0.582	2	110.0915	0.582	2	109.7487	1.097	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]3)(CCCH)(H)	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]3)(CCCH)(H)	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CCCH)(H)2	N(CC[5a]CH)(CC[6a]3)(H)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CCCH)(H)2	N(CC[5a]CH)(CC[6a]3)(H)	114.0570	0.000	1	114.0570	0.000	1	112.4860	4.936	2	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HH)(H)2	N(CC[5a]CH)(CC[6a]3)(H)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HH)(H)2	N(CC[5a]CH)(CC[6a]3)(H)	110.9150	0.000	1	110.9150	0.000	1	112.4860	4.936	2	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C(CC[5a]HN)(CCHH)(H)2	N(CC[5a]CH)(SC[6a]OO)(H)	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C(CC[5a]HN)(CCHH)(H)2	N(CC[5a]CH)(SC[6a]OO)(H)	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.4930	0.000	1	108.4930	0.000	1	107.9140	2.530	4	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CHHO)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CHHO)(Br)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.7210	1.890	3	107.7210	3.571	3	107.9140	2.530	4	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]C[5]H)(CC[6a]CH)(H)	107.4410	0.000	1	107.4410	0.000	1	107.5890	0.044	2	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHO)(H)2	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHO)(H)2	N(CC[6a]CH)(CH3)(H)	107.7370	0.000	1	107.7370	0.000	1	107.5890	0.044	2	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(PO3)(H)	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	114.8170	0.000	1	114.8170	0.000	1	111.1393	10.219	3	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SO3)(H)	109.0260	0.000	1	109.0260	0.000	1	111.1393	10.219	3	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	109.5750	0.000	1	109.5750	0.000	1	111.1393	10.219	3	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NCHH)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NCHH)(H)2	N(CC[6a]CH)(SC[6a]OO)(H)	108.8400	0.375	2	108.8400	0.140	2	108.8400	0.140	2	109.8937	7.217	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CCHH)(SCO)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CCHH)(SCO)	113.6390	0.000	1	113.6390	0.000	1	113.6390	0.000	1	113.6390	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CC[6a]HN)(CH3)(F)(H)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CC[6a]HN)(CH3)(F)(H)	N(CC[6a]CH)(SC[6a]OO)2	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	112.1227	1.382	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(CH3)2	113.0170	0.000	1	113.0170	0.000	1	113.0170	0.000	1	112.1227	1.382	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	112.1227	1.382	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	3:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NS)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NS)(H)	N(C[6a]C[6a]2)(CCCH)(H)	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CH3)(OC)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CH3)(OC)(H)	N(CC[6a]CH)(SCO)(H)	110.2650	0.972	2	110.2650	0.944	2	110.2650	0.944	2	110.2650	0.944	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-2:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]CH)(PC[6a]2O)(H)	109.4025	0.248	2	109.4025	0.062	2	109.4025	0.062	2	108.5900	2.039	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	106.4710	0.000	1	106.4710	0.000	1	107.7775	3.414	2	108.5900	2.039	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CH3)(OC)(H)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CH3)(OC)(H)	N(CC[6a]CH)(SO3)(H)	109.0840	0.000	1	109.0840	0.000	1	107.7775	3.414	2	108.5900	2.039	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCF)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCF)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)2	108.7440	0.000	2	108.7440	0.000	2	108.5023	0.081	4	109.6200	6.308	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)2	108.1890	0.000	1	108.1890	0.000	1	108.5023	0.081	4	109.6200	6.308	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)2	108.3320	0.000	1	108.3320	0.000	1	108.5023	0.081	4	109.6200	6.308	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:2:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CC[6a]HN)(CC3)(OH)(H)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CC[6a]HN)(CC3)(OH)(H)	N(CC[6a]CH)2(PC[6a]2O)	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	109.6200	6.308	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	N(CC[6a]CH)(H)2	109.7780	0.296	2	109.7780	0.087	2	109.7780	0.087	2	109.7780	0.087	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:F-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	N(CC[6a]CH)(SCO)(H)	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	108.0455	8.230	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	N(CC[6a]CH)(SCO)(H)	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	108.0455	8.230	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	N(CC[6a]CH)(CCCH)(H)	107.0937	0.683	3	107.0937	0.467	3	107.8475	2.584	4	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CC[6a]CH)2(H)	110.1090	0.000	1	110.1090	0.000	1	107.8475	2.584	4	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	105.6830	0.000	1	105.6830	0.000	1	107.5070	1.907	8	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	110.2500	0.000	1	110.2500	0.000	1	107.5070	1.907	8	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(CCO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(CCO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	108.4290	0.000	1	108.4290	0.000	1	107.5070	1.907	8	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(H)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(H)	N(CC[6a]CH)(SO3)(H)	106.7490	0.000	1	106.7490	0.000	1	107.5070	1.907	8	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	107.2362	0.511	4	107.2362	0.261	4	107.5070	1.907	8	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:Cl-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(Cl)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(Cl)	N(CC[6a]CH)(SC[6a]OO)(H)	105.8530	0.000	2	105.8530	0.000	2	105.8530	0.000	2	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	N(CC[6a]CH)2(H)	111.8903	1.176	4	111.8903	1.382	4	111.8903	1.382	4	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	109.0030	5.275	2	109.0030	27.826	2	109.1313	13.962	3	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	N(CC[6a]CH)(SO3)(H)	109.3880	0.000	1	109.3880	0.000	1	109.1313	13.962	3	108.4813	6.197	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	N(CC[6a]CH)2(CC[6a]HH)	110.4093	0.382	3	110.4093	0.146	3	110.3928	0.077	5	110.2523	0.180	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)2	110.2790	0.000	1	110.2790	0.000	1	110.3928	0.077	5	110.2523	0.180	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	N(CC[6a]CH)2(CC[6a]HH)	110.4570	0.000	1	110.4570	0.000	1	110.3928	0.077	5	110.2523	0.180	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CCHH)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CCHH)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)2	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	110.2523	0.180	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:3:3:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	N(CC[6a]CH)(SC[6a]OO)(H)	107.8285	0.732	2	107.8285	0.536	2	107.8285	0.536	2	107.8285	0.536	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	3:4:1:	N-3:C-4:B-3:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(BCO)(H)	C(CBHN)(CCHH)2(H)	N(C[6a]C[6a]2)(CBCH)(H)	C(NC[6a]H)(CCCH)(BCO)(H)	C(CBHN)(CCHH)2(H)	N(C[6a]C[6a]2)(CBCH)(H)	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:2:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:	C(CN[5]O)(CCCH)(NHO)(H)	C(CC[6]HH)(CCHN)(CH3)(H)	N(CCCH)(OC)(H)	C(CN[5]O)(CCCH)(NHO)(H)	C(CC[6]HH)(CCHN)(CH3)(H)	N(CCCH)(OC)(H)	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	B[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:	C(B[5]O[5]2)(CCCH)(NHS)(H)	C(CB[5]HN)(CH3)2(H)	N(CB[5]CH)(SCO)(H)	C(B[5]O[5]2)(CCCH)(NHS)(H)	C(CB[5]HN)(CH3)2(H)	N(CB[5]CH)(SCO)(H)	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	112.4313	5.195	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(CCO)(H)	113.2350	0.000	1	113.2350	0.000	1	113.2350	0.000	1	112.4313	5.195	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SCO)(H)	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	112.4313	5.195	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CH3)2(H)	N(CC[6a]HH)(CC[5]CH)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CH3)2(H)	N(CC[6a]HH)(CC[5]CH)(H)	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	109.9487	1.769	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CC[6a]3)(H)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	N(CC[5a]CH)(CC[6a]3)(H)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.9487	1.769	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCHH)(CHHO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCHH)(CHHO)(H)	N(CC[6a]CH)(SC[6a]OO)(H)	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	109.9487	1.769	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:P-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C(CC[6a]HN)(CH3)(PO3)(H)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C(CC[6a]HN)(CH3)(PO3)(H)	N(CC[6a]CH)(SO3)(H)	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.9487	1.769	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:C-4:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	N(CC[6a]CH)(SO3)(H)	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.9487	1.769	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:1:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:	C(NC[4]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[4]C[4]2C)(CCCH)(H)	C(NC[4]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[4]C[4]2C)(CCCH)(H)	110.0740	1.767	4	110.0740	3.121	4	110.0740	3.121	4	109.9487	1.769	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(CC[6a]HH)(OH)	111.5590	0.052	2	111.5590	0.003	2	111.5590	0.003	2	111.5590	0.003	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(SC[6a]OO)(CCC)	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	110.8625	1.541	2	110.8625	2.374	2	110.8625	2.374	2	112.1387	6.073	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:1:	4:4:4:	N-3:C-4:B-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CCCH)(BCN)(H)	C(CBHN)(CCHH)2(H)	N(C[5]C[5]2C)(CBCH)(CCCH)	C(NC[5]C)(CCCH)(BCN)(H)	C(CBHN)(CCHH)2(H)	N(C[5]C[5]2C)(CBCH)(CCCH)	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	112.1387	6.073	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:3:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(CC[6a]CH)(H)2	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:3:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CCH)	N(CCCH)(COO)(H)	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CCH)	N(CCCH)(COO)(H)	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.4700	0.111	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:3:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)2(COO)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)2(COO)	N(CC[6a]CH)(SCO)(H)	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.4700	0.111	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:3:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)2(NCH)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)2(NCH)	N(CC[6a]CH)2(H)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:4:	4:3:1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	112.4203	3.257	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:4:	4:3:1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C(CC[5a]HN)(CH3)3	N(CC[5a]CH)(SCO)(H)	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C(CC[5a]HN)(CH3)3	N(CC[5a]CH)(SCO)(H)	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.4203	3.257	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:1:	4:4:4:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)3	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)3	N(CC[6a]CH)(SCO)(H)	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	112.4203	3.257	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:2:	4:1:1:1:	3:4:1:	N-3:C-4:C-3:C-2:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CF3)(COO)(CC)	C(CCCN)(F)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CF3)(COO)(CC)	C(CCCN)(F)3	N(C[6a]C[6a]2)(CC3)(H)	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:2:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(SCO)(H)	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	3:4:1:1:	3:4:4:	N-3:C-4:C-3:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHN)(CCO)(COO)	C(NC[6a]C)(CCCN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(NC[6a]C)(CHHN)(CCO)(COO)	C(NC[6a]C)(CCCN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	3:4:1:1:	4:4:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	N(CC[6a]CC)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	N(CC[6a]CC)(CH3)(H)	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	3:4:2:1:	3:4:1:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	3:4:3:1:	3:4:1:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	3:4:3:1:	3:4:4:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	3:4:3:1:	4:1:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(NHH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCH)(H)	N(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(NHH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCH)(H)	N(CC[6a]CC)(H)2	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	4:3:1:1:	4:4:4:	C[6a]-3:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(NCC)	C(CC[6a]CN)(CCH)(H)2	N(CC[6a]CC)(CH3)2	C(C[6a]C[6a]2)(CCHH)(COO)(NCC)	C(CC[6a]CN)(CCH)(H)2	N(CC[6a]CC)(CH3)2	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	110.3725	0.253	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	4:3:1:1:	4:4:4:	C[6a]-3:C-4:C-3:N-3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	C(CC[6a]CN)(NCC)(H)2	N(CC[6a]CC)(CC[6a]HH)2	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	C(CC[6a]CN)(NCC)(H)2	N(CC[6a]CC)(CC[6a]HH)2	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.3725	0.253	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:3:	4:3:3:1:	4:4:1:	C[6a]-3:C-4:C-3:N-3:	C-4:N-3:C-3:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	C(CC[6a]CN)(NC[6a]H)(COO)(H)	N(CC[6a]CC)(PO3)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	C(CC[6a]CN)(NC[6a]H)(COO)(H)	N(CC[6a]CC)(PO3)(H)	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:4:	3:4:1:1:	3:4:1:	C[6a]-3:C-4:N-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	N(C[6a]C[6a]2)(CC[6a]CC)(H)	110.5500	0.000	1	110.5500	0.000	1	110.5500	0.000	1	110.5500	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:3:4:	4:1:1:1:	3:4:1:	C[6a]-3:C-4:N-3:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)(H)	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:4:1:	3:4:1:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)	113.0750	0.454	2	113.0750	0.206	2	113.0750	0.206	2	113.0750	0.206	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]N[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]N[5])(CCCH)(H)	110.0260	2.649	2	110.0260	7.016	2	110.1681	1.972	8	110.2628	5.428	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)(H)	110.2155	1.161	6	110.2155	1.347	6	110.1681	1.972	8	110.2628	5.428	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	113.1297	1.602	3	113.1297	2.565	3	110.3211	7.887	13	110.2628	5.428	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	113.3205	0.409	2	113.3205	0.168	2	110.3211	7.887	13	110.2628	5.428	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	108.1450	0.183	4	108.1450	0.034	4	110.3211	7.887	13	110.2628	5.428	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)	107.9295	0.100	2	107.9295	0.010	2	110.3211	7.887	13	110.2628	5.428	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]N[6a]2)(CCCH)(H)	109.8525	4.093	2	109.8525	16.756	2	110.3211	7.887	13	110.2628	5.428	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4a]-3:C-4:O-2:	C(NC[4a]O)(CH3)2(H)	C(CCHN)(H)3	N(C[4a]C[4a]2)(CCCH)(OH)	C(NC[4a]O)(CH3)2(H)	C(CCHN)(H)3	N(C[4a]C[4a]2)(CCCH)(OH)	110.4995	0.820	2	110.4995	0.672	2	110.4995	0.672	2	110.4995	0.672	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CNN)	109.3650	0.406	2	109.3650	0.165	2	109.3650	0.165	2	109.3650	0.165	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]2)(CCCH)2	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	N(C[3]C[3]2)(CCCH)2	111.6850	2.059	4	111.6850	4.239	4	111.6850	4.239	4	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2)(CCCH)(CCHH)	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2)(CCCH)(CCHH)	112.1350	1.441	2	112.1350	2.077	2	112.1350	2.077	2	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	111.8423	1.489	4	111.8423	2.216	4	111.8423	2.216	4	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:S-4:C-4:	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	111.0020	3.024	2	111.0020	9.142	2	111.0020	9.142	2	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CC3)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C(NC[6a]C)(CC3)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	115.9480	0.000	1	115.9480	0.000	1	112.4788	3.797	13	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)	113.1430	0.000	1	113.1430	0.000	1	112.4788	3.797	13	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	112.0920	1.037	4	112.0920	1.076	4	112.4788	3.797	13	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)	111.7645	1.094	2	111.7645	1.197	2	112.4788	3.797	13	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)2	111.4940	2.268	4	111.4940	5.142	4	112.4788	3.797	13	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CCHH)	115.2600	0.000	1	115.2600	0.000	1	112.4788	3.797	13	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	N(P[4]N[4]2)(CCCH)2	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	N(P[4]N[4]2)(CCCH)2	111.6362	0.718	4	111.6362	0.516	4	111.6362	0.516	4	112.0397	2.989	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[4]-4:C-3:C-4:	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	112.7160	1.847	2	112.7160	3.411	2	112.7160	3.411	2	112.7160	3.411	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2H)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2H)(CCCH)(H)	109.0700	1.980	2	109.0700	3.920	2	109.2413	5.865	4	110.2918	3.914	30	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2Ru)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2Ru)(CCCH)(H)	109.4125	3.682	2	109.4125	13.556	2	109.2413	5.865	4	110.2918	3.914	30	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)	109.8675	1.702	4	109.8675	2.897	4	109.8675	2.897	4	110.2918	3.914	30	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:C-4:H-1:	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6,6]C[6,6]2Cr)(CCCH)(H)	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6,6]C[6,6]2Cr)(CCCH)(H)	110.9958	3.234	4	110.9958	10.462	4	110.8073	7.184	6	110.2918	3.914	30	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:C-4:H-1:	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6,6]C[6,6]2Pt)(CCCH)(H)	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6,6]C[6,6]2Pt)(CCCH)(H)	110.4305	2.027	2	110.4305	4.110	2	110.8073	7.184	6	110.2918	3.914	30	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2N)(CCCH)(H)	110.4672	1.714	16	110.4672	2.939	16	110.4672	2.939	16	110.2918	3.914	30	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3,3]-4:C-4:C-4:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	112.9273	1.189	16	112.9273	1.413	16	113.6158	3.202	60	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3,3]-4:C-4:C-4:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	114.5005	2.216	20	114.5005	4.910	20	113.6158	3.202	60	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3,3]-4:C-4:C-4:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	113.0576	1.125	16	113.0576	1.267	16	113.6158	3.202	60	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3,3]-4:C-4:C-4:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3x3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	N(B[3,3]Ge[3x3]N[3]2)(CCCH)2	113.8975	1.948	8	113.8975	3.796	8	113.6158	3.202	60	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-4:C-4:C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5,6]N[5]Ru)(CCCH)2	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	N(B[5]C[5,6]N[5]Ru)(CCCH)2	112.4973	0.900	4	112.4973	0.811	4	112.4973	0.811	4	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[6]2La)(CLaHN)(CCCH)	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	N(B[6]C[6]2La)(CLaHN)(CCCH)	110.9235	0.032	2	110.9235	0.001	2	110.9235	0.001	2	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5,6a]C[5]H)(CCCH)2	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5,6a]C[5]H)(CCCH)2	113.1868	2.713	4	113.1868	7.362	4	113.6393	7.271	6	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	114.5445	3.437	2	114.5445	11.815	2	113.6393	7.271	6	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6,6a]O[6]H)(CCCH)2	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6,6a]O[6]H)(CCCH)2	112.4045	2.375	4	112.4045	5.641	4	112.7919	7.520	8	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)2	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)2	113.1792	3.392	4	113.1792	11.504	4	112.7919	7.520	8	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]C[5]2O)(CCCH)2	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]C[5]2O)(CCCH)2	112.4027	0.330	4	112.4027	0.109	4	112.4027	0.109	4	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]CN)(CCCH)(CCHH)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	N(SiC[6a]CN)(CCCH)(CCHH)	113.3630	0.613	4	113.3630	0.376	4	113.3630	0.376	4	113.3638	3.532	88	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	5:4:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-5:C-4:H-1:	C(NP[5]H)(CH3)2(H)	C(CCHN)(H)3	N(P[5]N[5]O[5]OO)(CCCH)(H)	C(NP[5]H)(CH3)2(H)	C(CCHN)(H)3	N(P[5]N[5]O[5]OO)(CCCH)(H)	109.4260	2.018	2	109.4260	4.073	2	109.4260	4.073	2	109.4260	4.073	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	5:4:4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-5:C-4:C-4:	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]O[5]2OO)(CCCH)2	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	N(P[5]O[5]2OO)(CCCH)2	113.4853	1.425	4	113.4853	2.030	4	113.4853	2.030	4	113.4853	2.030	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	108.6320	0.000	2	108.6320	0.000	2	108.6320	0.000	2	108.6320	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	N(C[6a]C[6a]2)(CCCH)(CCHH)	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:1:1:	4:4:4:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(NC[6]2)(CHHO)2(H)	C(CCHN)(OH)(H)2	N(C[6]C[6]2H)2(CCCH)	C(NC[6]2)(CHHO)2(H)	C(CCHN)(OH)(H)2	N(C[6]C[6]2H)2(CCCH)	112.8470	1.284	4	112.8470	1.647	4	112.8470	1.647	4	112.8470	1.647	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:3:1:1:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CH3)	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:3:3:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	N(C[6a]C[6a]2)(CCCH)(H)	105.6035	0.728	2	105.6035	0.529	2	105.6035	0.529	2	105.6035	0.529	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	111.7350	0.000	1	111.7350	0.000	1	111.5448	0.487	6	111.5448	0.487	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	112.8250	0.000	1	112.8250	0.000	1	111.5448	0.487	6	111.5448	0.487	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(H)	111.3875	0.207	2	111.3875	0.043	2	111.5448	0.487	6	111.5448	0.487	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	110.9670	0.000	2	110.9670	0.000	2	111.5448	0.487	6	111.5448	0.487	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)	110.4935	2.492	4	110.4935	6.209	4	110.1943	3.707	10	110.1943	3.707	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	N(C[6]C[6]2H)(CCCH)(H)	111.1770	1.690	3	111.1770	2.856	3	110.1943	3.707	10	110.1943	3.707	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)	108.8127	0.149	3	108.8127	0.022	3	110.1943	3.707	10	110.1943	3.707	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:2:2:	3:4:4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CC3)(CH3)(H)	C(CC[6a]HH)(CCHN)(CN)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C(NC[6a]C)(CC3)(CH3)(H)	C(CC[6a]HH)(CCHN)(CN)2	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:4:3:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(CH3)2(CCN)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(CH3)2(CCN)	N(C[6a]C[6a]2)(CCCH)(H)	111.8100	0.000	1	111.8100	0.000	1	111.8100	0.000	1	111.8100	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:4:4:	3:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)2(CH3)2	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)2(CH3)2	N(C[6a]C[6a]2)(CCCH)(H)	110.5575	1.590	2	110.5575	2.529	2	110.5575	2.529	2	110.5575	2.529	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:2:	4:3:1:1:	4:4:4:	N-3:C-4:C-4:C-2:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(NCC)(H)2	N(C[6]C[6]2H)(CC3)(CH3)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(NCC)(H)2	N(C[6]C[6]2H)(CC3)(CH3)	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:2:	4:4:4:1:	4:4:4:	N-3:C-4:C-4:C-2:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(CCHH)2(H)	N(C[6]C[6]2H)(CC3)(CH3)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(CCHH)2(H)	N(C[6]C[6]2H)(CC3)(CH3)	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	3:4:4:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	N(CC[6a]CC)(SC[6]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	N(CC[6a]CC)(SC[6]O)(H)	103.8990	0.000	1	103.8990	0.000	1	103.8990	0.000	1	103.8990	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	111.0190	0.000	1	111.0190	0.000	1	111.2570	2.727	5	111.2570	2.727	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)2(CCO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CCO)	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	111.3165	1.901	4	111.3165	3.612	4	111.2570	2.727	5	111.2570	2.727	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:	C(NC[6a]S)(CH3)2(CCC)	C(CCCN)(H)3	N(C[6a]C[6a]2)(SCOO)(CC3)	C(NC[6a]S)(CH3)2(CCC)	C(CCCN)(H)3	N(C[6a]C[6a]2)(SCOO)(CC3)	107.8272	1.186	4	107.8272	1.406	4	107.8272	1.406	4	107.8272	1.406	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:2:1:	C-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:	C(CC[6a]O)(CH3)2(NHO)	C(CCCN)(H)3	N(CC3)(OH)(H)	C(CC[6a]O)(CH3)2(NHO)	C(CCCN)(H)3	N(CC3)(OH)(H)	107.7425	1.371	2	107.7425	1.880	2	107.7425	1.880	2	107.7425	1.880	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[5a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:	C(C[5a]N[5a]2)(CH3)2(NHN)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(NCH)(H)	C(C[5a]N[5a]2)(CH3)2(NHN)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(NCH)(H)	110.8225	4.495	2	110.8225	20.206	2	110.8225	20.206	2	108.2966	9.140	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(SCO)(H)	107.2675	1.952	2	107.2675	3.812	2	107.2675	3.812	2	108.2966	9.140	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CNO)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CNO)(H)	107.4935	3.046	8	107.4935	9.281	8	107.4935	9.281	8	108.2966	9.140	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6]O)(H)	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	108.2966	9.140	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	C(CC[6a]C[5]N)(H)3	N(CC[6a]C[5]C)(SCO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	C(CC[6a]C[5]N)(H)3	N(CC[6a]C[5]C)(SCO)(H)	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	108.2966	9.140	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C(CC[6a]CN)(F)3	N(CC[6a]CC)(PC[6a]2O)(H)	104.8730	0.000	1	104.8730	0.000	1	104.8730	0.000	1	108.6160	12.367	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(PC[6a]2O)(H)	112.0660	0.000	1	112.0660	0.000	1	112.0660	0.000	1	108.6160	12.367	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)2(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)2(NHS)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6a]OO)(H)	107.1165	2.867	2	107.1165	8.222	2	107.1165	8.222	2	108.6160	12.367	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:	C[6a]-3:P-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(SCOO)(H)	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(SCOO)(H)	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	108.6160	12.367	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:4:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CH3)2	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CH3)2	111.5710	4.858	2	111.5710	23.598	2	111.5710	23.598	2	111.5710	23.598	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:3:1:1:	3:4:1:	N-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC3)(H)	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:3:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(COO)(H)2	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(COO)(H)2	N(CC[6a]CC)(SCO)(H)	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:P-4:N-3:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C(CC[6a]NP)(NOO)(H)2	N(CC[6a]CP)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C(CC[6a]NP)(NOO)(H)2	N(CC[6a]CP)(SC[6a]OO)(H)	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:4:1:1:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(CCHH)(H)2	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(CCHH)(H)2	N(CC[6a]CC)(SCO)(H)	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	2:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:C-4:Se-2:	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeCl)(CC3)(SeN)	C(NSe2)(CH3)3	C(CCCN)(H)3	N(SeCl)(CC3)(SeN)	108.7342	1.326	12	108.7342	1.758	12	108.7342	1.758	12	108.7342	1.758	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)(H)	108.8650	2.699	9	108.8650	7.283	9	108.8650	7.283	9	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,5a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,5a]C[5a])(CC3)(H)	109.1247	2.769	3	109.1247	7.667	3	109.1339	5.822	27	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	109.2220	2.892	3	109.2220	8.366	3	109.1339	5.822	27	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6a]C[5a])(CC3)(H)	109.0853	3.473	3	109.0853	12.060	3	109.1339	5.822	27	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)(H)	109.2087	2.557	3	109.2087	6.539	3	109.1339	5.822	27	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a,5a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a,5a]C[5a])(CC3)(H)	109.3407	3.486	3	109.3407	12.153	3	109.1339	5.822	27	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	109.0873	2.328	9	109.0873	5.418	9	109.1339	5.822	27	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	N(C[5a]N[5a]2)(CC3)(H)	108.9613	2.662	3	108.9613	7.086	3	109.1339	5.822	27	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C(CCCN)(H)3	N(C[6]N[5a,6]N[6])(CC3)(H)	108.9267	3.602	3	108.9267	12.976	3	108.9267	12.976	3	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	108.7203	2.661	6	108.7203	7.083	6	109.1343	8.908	15	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]2)(CC3)(H)	109.6467	3.360	3	109.6467	11.288	3	109.1343	8.908	15	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	109.5277	4.805	3	109.5277	23.087	3	109.1343	8.908	15	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)	109.0563	3.020	3	109.0563	9.122	3	109.1343	8.908	15	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	108.5533	1.871	3	108.5533	3.500	3	108.5490	3.963	9	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(O)	108.5468	2.223	6	108.5468	4.941	6	108.5490	3.963	9	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(CC3)(H)	109.2715	1.361	32	109.2715	1.851	32	109.2715	1.851	32	109.0929	4.826	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:	C(NC[5a]O)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]2)(CC3)(OH)	C(NC[5a]O)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]2)(CC3)(OH)	109.0263	3.048	3	109.0263	9.288	3	109.0263	9.288	3	109.2385	6.333	66	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(OAl)	C(NC[6]O)(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)(OAl)	109.2638	1.520	18	109.2638	2.310	18	109.2638	2.310	18	109.2385	6.333	66	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(OH)	109.2515	2.897	42	109.2515	8.394	42	109.2425	8.037	45	109.2385	6.333	66	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]N[6a])(CC3)(OH)	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]N[6a])(CC3)(OH)	109.1163	2.174	3	109.1163	4.725	3	109.2425	8.037	45	109.2385	6.333	66	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(NC[5a]C)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	C(NC[5a]C)(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	109.6207	2.209	3	109.6207	4.880	3	109.6207	4.880	3	110.9588	8.869	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	3:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)2	C(NC[6a]C)(CH3)3	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)2	111.2933	3.129	12	111.2933	9.790	12	111.2933	9.790	12	110.9588	8.869	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:2:2:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:Se-2:Se-2:	C(NSe2)(CH3)3	C(CCCN)(H)3	N(CC3)(SeN)2	C(NSe2)(CH3)3	C(CCCN)(H)3	N(CC3)(SeN)2	109.0397	1.504	3	109.0397	2.262	3	109.0397	2.262	3	109.0397	2.262	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,5]-4:C-3:C-4:	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	110.4153	1.600	3	110.4153	2.559	3	110.4153	2.559	3	110.3953	2.619	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:3:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:P-3:C-4:	C(NSi[4]P)(CH3)3	C(CCCN)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	C(NSi[4]P)(CH3)3	C(CCCN)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	110.3753	1.997	3	110.3753	3.988	3	110.3753	3.988	3	110.3953	2.619	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5a]-4:C-4:H-1:	C(NB[5a]H)(CH3)3	C(CCCN)(H)3	N(B[5a]N[5a,6a]2C[5])(CC3)(H)	C(NB[5a]H)(CH3)3	C(CCCN)(H)3	N(B[5a]N[5a,6a]2C[5])(CC3)(H)	109.7723	1.874	3	109.7723	3.511	3	109.7723	3.511	3	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]C[5]H)(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]C[5]H)(CC3)(H)	109.4121	3.561	9	109.4121	12.684	9	109.3270	14.767	12	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]N[5]H)(CC3)(H)	C(NC[5]H)(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]N[5]H)(CC3)(H)	109.0717	5.510	3	109.0717	30.355	3	109.3270	14.767	12	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2C)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2C)(CC3)(H)	108.5960	2.123	3	108.5960	4.508	3	108.9989	6.702	21	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2N)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2N)(CC3)(H)	108.7277	2.879	3	108.7277	8.289	3	108.9989	6.702	21	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2S)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2S)(CC3)(H)	109.3607	2.602	3	109.3607	6.770	3	108.9989	6.702	21	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Se)(CC3)(H)	C(NP[4]H)(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Se)(CC3)(H)	109.0770	2.919	12	109.0770	8.521	12	108.9989	6.702	21	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2N)(CC3)(H)	109.0888	2.240	47	109.0888	5.017	47	109.0888	5.017	47	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:	C(NSiH)(CH3)3	C(CCCN)(H)3	N(SiCCN)(CC3)(H)	C(NSiH)(CH3)3	C(CCCN)(H)3	N(SiCCN)(CC3)(H)	109.6973	1.301	3	109.6973	1.692	3	110.0482	1.925	6	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:	C(NSiH)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(CC3)(H)	C(NSiH)(CH3)3	C(CCCN)(H)3	N(SiC[5]CC)(CC3)(H)	110.3990	1.659	3	110.3990	2.753	3	110.0482	1.925	6	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:H-1:	C(NSi[4]H)(CH3)3	C(CCCN)(H)3	N(Si[4]N[4]2C)(CC3)(H)	C(NSi[4]H)(CH3)3	C(CCCN)(H)3	N(Si[4]N[4]2C)(CC3)(H)	109.6990	0.527	6	109.6990	0.278	6	109.6990	0.278	6	109.2197	5.890	95	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(H)3	N(C[6]C[6]2H)2(CC3)	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(H)3	N(C[6]C[6]2H)2(CC3)	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	110.8101	2.907	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga-4:Si-4:C-4:	C(NGaSi)(CH3)3	C(CCCN)(H)3	N(GaCl2P)(SiCCN)(CC3)	C(NGaSi)(CH3)3	C(CCCN)(H)3	N(GaCl2P)(SiCCN)(CC3)	110.4303	0.419	3	110.4303	0.176	3	110.4303	0.176	3	110.8101	2.907	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:Si-4:C-4:	C(NSi[5]Si)(CH3)3	C(CCCN)(H)3	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	C(NSi[5]Si)(CH3)3	C(CCCN)(H)3	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	110.5737	2.556	3	110.5737	6.535	3	110.5737	6.535	3	110.8101	2.907	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	5:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:	C(NC[3x3,3x5,12x6]H)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC3)(H)	C(NC[3x3,3x5,12x6]H)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC3)(H)	109.1990	3.604	3	109.1990	12.986	3	109.1990	12.986	3	109.0510	3.688	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	5:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[4,6]-5:C-4:H-1:	C(NNb[4,6]H)(CH3)3	C(CCCN)(H)3	N(Nb[4,6]N[4,6]C[4]N[6]N)(CC3)(H)	C(NNb[4,6]H)(CH3)3	C(CCCN)(H)3	N(Nb[4,6]N[4,6]C[4]N[6]N)(CC3)(H)	109.0807	0.452	3	109.0807	0.204	3	109.0807	0.204	3	109.0510	3.688	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	5:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:H-1:	C(NNb[6]H)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2CN)(CC3)(H)	C(NNb[6]H)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2CN)(CC3)(H)	108.8733	1.217	3	108.8733	1.480	3	108.8733	1.480	3	109.0510	3.688	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	5:4:4:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:Si-4:C-4:	C(NNb[6]Si)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2NO)(SiCHH)(CC3)	C(NNb[6]Si)(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2NO)(SiCHH)(CC3)	110.0250	1.756	3	110.0250	3.084	3	110.0250	3.084	3	110.0250	3.084	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	6:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5x3,3x5,11x6]-6:C-4:H-1:	C(NC[5x3,3x5,11x6]H)(CH3)3	C(CCCN)(H)3	N(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CC3)(H)	C(NC[5x3,3x5,11x6]H)(CH3)3	C(CCCN)(H)3	N(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CC3)(H)	109.5340	5.148	3	109.5340	26.505	3	109.5340	26.505	3	109.5184	14.198	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	6:4:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,5x6]-6:C-4:H-1:	C(NC[5x3,5x5,5x6]H)(CH3)3	C(CCCN)(H)3	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C(NC[5x3,5x5,5x6]H)(CH3)3	C(CCCN)(H)3	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	109.5153	3.668	15	109.5153	13.454	15	109.5153	13.454	15	109.5184	14.198	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:2:1:1:	4:4:4:	N-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(OH)(H)2	N(C[6]C[6]2H)2(CC3)	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(OH)(H)2	N(C[6]C[6]2H)2(CC3)	109.9940	4.772	2	109.9940	22.768	2	109.9940	22.768	2	109.9940	22.768	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:3:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC3)(H)	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHH)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHH)(H)2	N(C[6a]C[6a]2)(CC3)(H)	109.8480	0.000	1	109.8480	0.000	1	109.8900	0.004	2	109.8900	0.004	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:4:1:1:	3:4:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CC3)(H)	109.9320	0.000	1	109.9320	0.000	1	109.8900	0.004	2	109.8900	0.004	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6]O)(CCHH)(H)	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)2(H)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)2(H)	111.5607	0.934	3	111.5607	0.873	3	111.5607	0.873	3	111.4450	3.201	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:P-4:H-1:	C(CHHO)(NHP)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(POOS)(H)	C(CHHO)(NHP)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(POOS)(H)	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	111.4450	3.201	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHS)(NCH)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	111.4450	3.201	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	N(CCHH)(CH3)2	113.2140	0.000	1	113.2140	0.000	1	113.7894	2.680	5	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	N(CCHH)3	113.0073	0.097	3	113.0073	0.009	3	113.7894	2.680	5	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a])(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NC[6a])(CHHN)(H)2	N(CCHH)3	116.7110	0.000	1	116.7110	0.000	1	113.7894	2.680	5	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(OB[6])(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHO)(NCC)(H)2	C(OB[6])(CHHN)(H)2	N(CCHH)(CH3)2	115.0370	0.000	1	115.0370	0.000	1	112.8822	7.165	87	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CH3)2	114.6890	0.000	1	114.6890	0.000	1	112.8822	7.165	87	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)2(CH3)	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)2(CH3)	113.4670	2.650	13	113.4670	7.021	13	112.8822	7.165	87	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)3	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)3	112.9236	2.572	69	112.9236	6.614	69	112.8822	7.165	87	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(OGa[4])(CHHN)(H)2	N(CCHH)2(CH3)	C(CHHO)(NCC)(H)2	C(OGa[4])(CHHN)(H)2	N(CCHH)2(CH3)	108.0760	0.460	3	108.0760	0.212	3	112.8822	7.165	87	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	115.1870	1.411	2	115.1870	1.992	2	115.1870	1.992	2	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(SC[5])(CHHN)(H)2	N(CCHH)3	C(CHHS)(NCC)(H)2	C(SC[5])(CHHN)(H)2	N(CCHH)3	113.0720	0.938	3	113.0720	0.880	3	112.4647	4.384	10	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(SC[5a])(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHS)(NCC)(H)2	C(SC[5a])(CHHN)(H)2	N(CCHH)(CH3)2	113.6960	0.000	1	113.6960	0.000	1	112.4647	4.384	10	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(SC[6a])(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHS)(NCC)(H)2	C(SC[6a])(CHHN)(H)2	N(CCHH)(CH3)2	111.9315	1.228	2	111.9315	1.509	2	112.4647	4.384	10	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(SC[6a])(CHHN)(H)2	N(CCHH)3	C(CHHS)(NCC)(H)2	C(SC[6a])(CHHN)(H)2	N(CCHH)3	111.8153	3.983	3	111.8153	15.865	3	112.4647	4.384	10	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(SIn[5])(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHS)(NCC)(H)2	C(SIn[5])(CHHN)(H)2	N(CCHH)(CH3)2	112.4260	0.000	1	112.4260	0.000	1	112.4647	4.384	10	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	2:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CSeHH)(NCC)(H)2	C(SeC[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CSeHH)(NCC)(H)2	C(SeC[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	112.9489	1.796	14	112.9489	3.224	14	112.9489	3.224	14	112.9322	6.210	118	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:2:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	N(CC[6a]HH)(CCHH)(CH3)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	N(CC[6a]HH)(CCHH)(CH3)	110.3845	0.156	4	110.3845	0.024	4	110.3845	0.024	4	111.1002	2.579	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:2:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	S-4:S-4:C-4:	C(CC[6a]HS)(NSS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	N(SC[6a]OO)2(CCHH)	C(CC[6a]HS)(NSS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	N(SC[6a]OO)2(CCHH)	113.9630	0.000	1	113.9630	0.000	1	113.9630	0.000	1	111.1002	2.579	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:	C(CC[6a]2H)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)2(H)	C(CC[6a]2H)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)2(H)	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	112.1882	3.791	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:S-4:H-1:	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(SCOO)(H)	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(CCHH)(SCOO)(H)	112.0400	3.142	2	112.0400	9.875	2	112.0400	9.875	2	112.1882	3.791	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]N[5]H)(NHS)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]N[5]H)(NHS)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	112.1882	3.791	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	S-4:C-4:C-4:	C(CC[5a]C[6a]H)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	N(SC[6a]OO)(CCHH)2	C(CC[5a]C[6a]H)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	N(SC[6a]OO)(CCHH)2	112.0785	0.643	2	112.0785	0.413	2	112.0785	0.413	2	112.3853	0.489	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	S-4:C-4:C-4:	C(CC[6a]2H)(NCS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(SC[6a]OO)(CCHH)(CH3)	C(CC[6a]2H)(NCS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	N(SC[6a]OO)(CCHH)(CH3)	112.9990	0.000	1	112.9990	0.000	1	112.9990	0.000	1	112.3853	0.489	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:2:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:	C(CC[6a]2O)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	N(CC[6a]HH)(CCHH)(H)	C(CC[6a]2O)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	N(CC[6a]HH)(CCHH)(H)	115.6080	0.000	1	115.6080	0.000	1	115.6080	0.000	1	115.6080	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OGe)	N(CCHH)2(CH3)	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OGe)	N(CCHH)2(CH3)	110.4980	0.000	1	110.4980	0.000	1	110.7413	1.075	3	110.7413	1.075	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	N(CCHH)2(CH3)	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	N(CCHH)2(CH3)	110.8630	1.435	2	110.8630	2.060	2	110.7413	1.075	3	110.7413	1.075	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:3:	3:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C-4:C-4:	C(CC[6a]CN)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(CC[6a]CN)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:3:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	S-4:C-4:H-1:	C(CC[5a]C[6a]C)(NHS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	N(SC[6a]OO)(CCHH)(H)	C(CC[5a]C[6a]C)(NHS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	N(SC[6a]OO)(CCHH)(H)	115.3000	0.980	2	115.3000	0.960	2	115.3000	0.960	2	115.3000	0.960	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)(H)	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	109.8152	0.413	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:	C(CC[6a]HH)(NC[5a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5a]N[5a,6a]C[5a])(CCHH)(H)	C(CC[6a]HH)(NC[5a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[5a]N[5a,6a]C[5a])(CCHH)(H)	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	109.8152	0.413	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.2010	0.000	1	110.2010	0.000	1	110.1555	0.004	2	109.8152	0.413	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	110.1100	0.000	1	110.1100	0.000	1	110.1555	0.004	2	109.8152	0.413	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)	109.0745	0.128	2	109.0745	0.016	2	109.0745	0.016	2	109.8152	0.413	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S-4:C-4:	C(CC[5a]HH)(NC[5a]S)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(CC[5a]HH)(NC[5a]S)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	116.1060	50.803	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:C-4:	C(CN[5]HH)(NC[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(C[5]C[5]2)(CCCH)(CCHH)	C(CN[5]HH)(NC[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(C[5]C[5]2)(CCCH)(CCHH)	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	116.1060	50.803	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[5a]HH)(NHH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(H)2	C(CC[5a]HH)(NHH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(H)2	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	111.6319	6.511	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(H)2	110.6993	0.872	3	110.6993	0.760	3	110.6993	0.760	3	111.6319	6.511	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)(H)2	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)(H)2	107.8320	0.000	1	107.8320	0.000	1	112.8355	11.803	4	111.6319	6.511	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(H)2	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(H)2	114.5033	1.007	3	114.5033	1.015	3	112.8355	11.803	4	111.6319	6.511	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CN[6]HH)(NHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)2	C(CN[6]HH)(NHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)2	109.2275	0.837	2	109.2275	0.700	2	109.2275	0.700	2	111.6319	6.511	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CN[6a]HH)(NHH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(H)2	C(CN[6a]HH)(NHH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(H)2	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	111.6319	6.511	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CNS)(H)	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.7855	0.038	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:	C(CN[6]HH)(NHN)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(NOO)(H)	C(CN[6]HH)(NHN)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(NOO)(H)	110.9230	0.000	1	110.9230	0.000	1	110.9230	0.000	1	110.7855	0.038	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCHH)(CC3)(H)	C(CCHH)(NCH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCHH)(CC3)(H)	116.7455	0.254	2	116.7455	0.064	2	116.7455	0.064	2	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	111.5990	0.000	1	111.5990	0.000	1	111.3640	0.110	2	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	111.1290	0.000	1	111.1290	0.000	1	111.3640	0.110	2	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:	C(CC[5a]HH)(NC[5]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[5]C[6a]C[5]2)(CCHH)(H)	C(CC[5a]HH)(NC[5]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[5]C[6a]C[5]2)(CCHH)(H)	116.6015	0.177	2	116.6015	0.032	2	116.6015	0.032	2	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:F-1:H-1:	S-4:C-4:H-1:	C(CC[6a]FH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(F)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]FH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(F)(H)	N(SC[6a]OO)(CCHH)(H)	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCCH)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCCH)(CCHH)(H)	111.4190	0.000	1	111.4190	0.000	1	110.7310	2.058	3	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)2(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)2(H)	111.6920	0.000	1	111.6920	0.000	1	110.7310	2.058	3	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]HH)(CCHH)(H)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]HH)(CCHH)(H)	109.0820	0.000	1	109.0820	0.000	1	110.7310	2.058	3	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(SCOO)(H)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(SCOO)(H)	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	110.3235	0.097	2	110.3235	0.009	2	111.6070	6.961	4	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	112.8905	3.779	2	112.8905	14.285	2	111.6070	6.961	4	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[5a]C)(CHHN)(H)2	N(CCHH)(CC3)(H)	C(CHHN)(NCH)(H)2	C(NC[5a]C)(CHHN)(H)2	N(CCHH)(CC3)(H)	111.7990	0.000	1	111.7990	0.000	1	112.1312	5.056	10	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6]C)(CHHN)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(NC[6]C)(CHHN)(H)2	N(CCHH)2(H)	113.0850	2.496	2	113.0850	6.230	2	112.1312	5.056	10	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)2(H)	111.0780	0.000	1	111.0780	0.000	1	112.1312	5.056	10	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)2(H)	113.8795	1.503	2	113.8795	2.258	2	112.1312	5.056	10	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(H)	109.0120	0.489	2	109.0120	0.239	2	112.1312	5.056	10	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	113.2410	2.387	2	113.2410	5.699	2	112.1312	5.056	10	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(CCHH)2(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(CCHH)2(H)	110.0250	0.004	2	110.0250	0.000	2	110.2250	1.597	21	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CC3)(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CC3)(H)	110.0598	1.079	11	110.0598	1.165	11	110.2250	1.597	21	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)2(H)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)2(H)	110.5021	1.660	8	110.5021	2.756	8	110.2250	1.597	21	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N(CCHH)2(H)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N(CCHH)2(H)	111.4870	0.000	1	111.4870	0.000	1	111.3615	0.032	2	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]N[5a]2)(CHHN)(H)2	N(CCHH)2(H)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]N[5a]2)(CHHN)(H)2	N(CCHH)2(H)	111.2360	0.000	1	111.2360	0.000	1	111.3615	0.032	2	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[5,6]C[6])(CHHN)(H)2	N(CCHH)2(H)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[5,6]C[6])(CHHN)(H)2	N(CCHH)2(H)	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CO[4]HH)(NCH)(H)2	C(O[4]Ga[4]2)(CHHN)(H)2	N(CCHH)(CC3)(H)	C(CO[4]HH)(NCH)(H)2	C(O[4]Ga[4]2)(CHHN)(H)2	N(CCHH)(CC3)(H)	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	111.3830	5.092	51	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:O-2:	C(CCHH)(NCO)(H)2	C(CC[5]O)(CHHN)(H)2	N(CCHH)(CH3)(OC)	C(CCHH)(NCO)(H)2	C(CC[5]O)(CHHN)(H)2	N(CCHH)(CH3)(OC)	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.2556	0.170	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:	C(CC[6a]HH)(NCO)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)2(OH)	C(CC[6a]HH)(NCO)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)2(OH)	111.2362	0.473	4	111.2362	0.224	4	111.2362	0.224	4	111.2556	0.170	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	112.1780	5.371	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:O-3:	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)2(OIn2)	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)2(OIn2)	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	112.1780	5.371	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-3:	C(CC[6a]HH)(NCO)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)2(OIn2)	C(CC[6a]HH)(NCO)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)2(OIn2)	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	112.1780	5.371	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CH3)(CNN)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CH3)(CNN)	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	112.1780	5.371	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5]H)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CC[5]H)(CHHN)(H)2	N(CCHH)2(CH3)	114.5270	0.781	2	114.5270	0.609	2	114.5270	0.609	2	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[5]C)(CHHN)(H)2	N(SC[6a]OO)(CC[5]CH)(CCHH)	C(CCHH)(NCS)(H)2	C(CC[5]C)(CHHN)(H)2	N(SC[6a]OO)(CC[5]CH)(CCHH)	111.9035	0.595	2	111.9035	0.354	2	112.8630	1.485	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[5]Si)(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	C(CCHH)(NCS)(H)2	C(CC[5]Si)(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	114.2800	0.000	1	114.2800	0.000	1	112.8630	1.485	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[6a]C)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CC[6a]C)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.3650	0.000	1	113.3650	0.000	1	112.8630	1.485	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(CCHH)(CH3)2	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(CCHH)(CH3)2	115.0040	0.000	1	115.0040	0.000	1	114.9195	0.014	2	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	114.8350	0.000	1	114.8350	0.000	1	114.9195	0.014	2	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)2	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)2	113.2502	0.373	5	113.2502	0.139	5	113.0840	4.348	12	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)3	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)3	113.9363	3.435	4	113.9363	11.798	4	113.0840	4.348	12	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	112.9960	0.000	1	112.9960	0.000	1	113.0840	4.348	12	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	111.0080	0.454	2	111.0080	0.206	2	113.0840	4.348	12	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.2050	1.280	2	113.2050	1.638	2	112.1720	4.020	3	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	110.1060	0.000	1	110.1060	0.000	1	112.1720	4.020	3	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6]HH)(NCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)3	C(CC[6]HH)(NCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)3	110.3380	0.000	1	110.3380	0.000	1	111.3907	0.987	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6]HH)(NCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CC[6]HH)(NCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	111.7417	0.862	3	111.7417	0.742	3	111.3907	0.987	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(CCHH)2(CH3)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(CCHH)2(CH3)	117.5020	0.000	1	117.5020	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	N(CCHH)3	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	N(CCHH)3	114.4540	0.000	1	114.4540	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)	116.8870	0.000	1	116.8870	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	N(CCHH)(CH3)2	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	N(CCHH)(CH3)2	112.8430	0.000	1	112.8430	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCCH)(CCHH)2	114.6945	0.651	2	114.6945	0.424	2	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CHHN)2	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CHHN)2	113.0520	0.000	1	113.0520	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5a]CH)(CCHH)(CH3)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5a]CH)(CCHH)(CH3)	118.0960	0.000	1	118.0960	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CH3)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(CH3)	111.6180	0.619	2	111.6180	0.384	2	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)	113.6522	2.817	4	113.6522	7.935	4	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	114.4960	3.672	4	114.4960	13.483	4	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CN[5a]HH)2(CCHH)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CN[5a]HH)2(CCHH)	111.7480	0.000	1	111.7480	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)3	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)3	116.6820	0.000	1	116.6820	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[5]HH)2(CCHH)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[5]HH)2(CCHH)	111.8480	0.000	1	111.8480	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	116.8080	0.000	1	116.8080	0.000	1	114.3245	6.720	22	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:S-4:	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(SNOO)	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(SNOO)	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	113.1670	0.000	1	113.1670	0.000	1	113.0200	1.723	7	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	112.1470	0.730	4	112.1470	0.534	4	113.0200	1.723	7	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	114.6925	0.271	2	114.6925	0.073	2	113.0200	1.723	7	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[4a]H)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NC[4a]H)(CHHN)(H)2	N(CCHH)(CH3)2	112.4417	0.838	3	112.4417	0.702	3	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[5]Co)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NC[5]Co)(CHHN)(H)2	N(CCHH)3	113.4560	0.000	1	113.4560	0.000	1	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[5]H)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NC[5]H)(CHHN)(H)2	N(CCHH)3	111.0910	0.000	1	111.0910	0.000	1	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[5a]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(NC[5a]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	112.0630	0.000	1	112.0630	0.000	1	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)(CH3)2	111.4710	1.056	2	111.4710	1.116	2	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)3	112.1612	1.475	5	112.1612	2.175	5	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCCH)(CCHH)2	112.8155	0.231	2	112.8155	0.053	2	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)(CH3)2	112.4730	0.000	1	112.4730	0.000	1	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)3	111.8293	0.636	4	111.8293	0.405	4	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(CH3)2	111.8552	1.280	5	111.8552	1.639	5	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(CH3)	112.1070	0.000	1	112.1070	0.000	1	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)3	113.1142	2.077	19	113.1142	4.312	19	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	111.4300	0.000	1	111.4300	0.000	1	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]Zn)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NC[6a]Zn)(CHHN)(H)2	N(CCHH)(CH3)2	112.9080	0.270	2	112.9080	0.073	2	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NGeSi)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NGeSi)(CHHN)(H)2	N(CCHH)3	109.7723	0.427	3	109.7723	0.182	3	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NSbSi)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NSbSi)(CHHN)(H)2	N(CCHH)3	110.8960	0.000	1	110.8960	0.000	1	112.3292	2.728	52	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(NCS)(H)2	C(NC[6]S)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHN)(NCS)(H)2	C(NC[6]S)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.5280	0.206	2	113.5280	0.043	2	113.5280	0.043	2	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)3	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CCHH)3	109.7500	0.000	1	109.7500	0.000	1	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(CCCH)2(CCHH)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N(CCCH)2(CCHH)	110.3655	1.022	2	110.3655	1.044	2	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CH3)2	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CH3)2	113.4930	0.585	4	113.4930	0.342	4	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)3	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)3	112.2824	2.782	33	112.2824	7.741	33	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	114.1754	1.723	7	114.1754	2.970	7	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	111.1980	0.000	2	111.1980	0.000	2	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CCHH)3	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CCHH)3	113.9180	0.972	2	113.9180	0.944	2	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	113.9900	1.146	4	113.9900	1.313	4	112.6399	6.103	55	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N(CC[5,5,6]HH)(SC[6a]OO)(CCHH)	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N(CC[5,5,6]HH)(SC[6a]OO)(CCHH)	111.6628	0.883	4	111.6628	0.780	4	111.6628	0.780	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.0430	0.000	1	113.0430	0.000	1	113.3233	1.367	7	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	113.3700	1.274	6	113.3700	1.622	6	113.3233	1.367	7	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)3	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)3	109.8660	0.017	2	109.8660	0.000	2	112.2665	2.339	13	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(CCHH)3	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(CCHH)3	112.4050	0.000	1	112.4050	0.000	1	112.2665	2.339	13	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(CC[6a]2H)(CCHH)2	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(CC[6a]2H)(CCHH)2	111.9530	0.000	1	111.9530	0.000	1	112.2665	2.339	13	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)3	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)3	113.3764	0.449	7	113.3764	0.201	7	112.2665	2.339	13	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CN[5a]HH)(CCHH)2	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CN[5a]HH)(CCHH)2	110.8700	1.640	2	110.8700	2.691	2	112.2665	2.339	13	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	111.9930	0.000	1	111.9930	0.000	1	112.0050	0.266	3	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	111.4950	0.000	1	111.4950	0.000	1	112.0050	0.266	3	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	112.5270	0.000	1	112.5270	0.000	1	112.0050	0.266	3	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]B[6]C[6])(CHHN)(H)2	N(CCHH)3	C(CN[6]HH)(NCC)(H)2	C(N[6]B[6]C[6])(CHHN)(H)2	N(CCHH)3	114.2470	0.661	6	114.2470	0.437	6	113.4689	3.221	14	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6,6]2)(CHHN)(H)2	N(CCHH)(CH3)2	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6,6]2)(CHHN)(H)2	N(CCHH)(CH3)2	111.0930	0.000	1	111.0930	0.000	1	113.4689	3.221	14	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CH3)2	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CH3)2	114.4190	0.413	2	114.4190	0.171	2	113.4689	3.221	14	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)3	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)3	113.4540	1.945	4	113.4540	3.781	4	113.4689	3.221	14	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	N(CCHH)3	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	N(CCHH)3	109.3350	0.000	1	109.3350	0.000	1	113.4689	3.221	14	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(SC[6a]OO)(CCHH)	112.3670	0.103	2	112.3670	0.011	2	112.3670	0.011	2	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.0580	2.217	2	113.0580	4.917	2	113.0580	4.917	2	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CO[4]HH)(NCC)(H)2	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	N(CCHH)2(CH3)	C(CO[4]HH)(NCC)(H)2	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	N(CCHH)2(CH3)	110.0260	0.329	3	110.0260	0.108	3	110.2945	0.360	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CO[4]HH)(NCC)(H)2	C(O[4]In[4]2)(CHHN)(H)2	N(CCHH)(CH3)2	C(CO[4]HH)(NCC)(H)2	C(O[4]In[4]2)(CHHN)(H)2	N(CCHH)(CH3)2	111.1000	0.000	1	111.1000	0.000	1	110.2945	0.360	4	112.7976	4.296	215	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:	C(CC[6a]HO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	N(CCHH)(H)2	C(CC[6a]HO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	N(CCHH)(H)2	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCCH)(CCHH)(H)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCCH)(CCHH)(H)	110.8690	0.000	1	110.8690	0.000	1	110.8475	0.830	6	110.7974	0.790	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)	111.7345	0.378	2	111.7345	0.143	2	110.8475	0.830	6	110.7974	0.790	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]CH)(CCHH)(H)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]CH)(CCHH)(H)	109.4610	0.000	1	109.4610	0.000	1	110.8475	0.830	6	110.7974	0.790	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(H)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(H)	110.6430	0.655	2	110.6430	0.429	2	110.8475	0.830	6	110.7974	0.790	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CC[6a]HO)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]HO)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(H)	110.6470	1.148	2	110.6470	1.319	2	110.6470	1.319	2	110.7974	0.790	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	N(CCHH)3	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	N(CCHH)3	112.9100	0.000	1	112.9100	0.000	1	111.8225	5.082	4	112.7282	7.913	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(CC[6a]HH)(CC[6a]HP)(CCHH)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(CC[6a]HH)(CC[6a]HP)(CCHH)	113.1390	0.000	1	113.1390	0.000	1	111.8225	5.082	4	112.7282	7.913	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	N(CCHH)2(CH3)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	N(CCHH)2(CH3)	108.4480	0.000	1	108.4480	0.000	1	111.8225	5.082	4	112.7282	7.913	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]CH)(CCHH)2	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]CH)(CCHH)2	112.7930	0.000	1	112.7930	0.000	1	111.8225	5.082	4	112.7282	7.913	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:C-4:	C(CC[6a]HO)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CC[6a]HO)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	116.3510	0.000	1	116.3510	0.000	1	116.3510	0.000	1	112.7282	7.913	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:	C(CC[6a]CH)(NHN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	N(CCHH)(NCH)(H)	C(CC[6a]CH)(NHN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	N(CCHH)(NCH)(H)	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	N(CCCH)(CCHH)(H)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	N(CCCH)(CCHH)(H)	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	110.2138	4.647	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	S-4:C-4:H-1:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	N(SC[6a]OO)(CCHH)(H)	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	110.2138	4.647	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	S-4:C-4:H-1:	C(CC[6a]HN)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]HN)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	N(SC[6a]OO)(CCHH)(H)	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	110.2138	4.647	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:	C(CN[5]CH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(CNO)(H)	N(CC[6a]HH)(CCHH)(H)	C(CN[5]CH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(CNO)(H)	N(CC[6a]HH)(CCHH)(H)	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	110.2138	4.647	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(NCC)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	N(CCHH)(CH3)2	C(CCHN)(NCC)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	N(CCHH)(CH3)2	112.6264	2.454	27	112.6264	6.022	27	112.6264	6.022	27	112.6264	6.022	27	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:2:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:C-4:	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	N(CC[6a]HH)2(CCHH)	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	N(CC[6a]HH)2(CCHH)	115.0845	0.011	2	115.0845	0.000	2	115.0845	0.000	2	115.0845	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:3:3:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:C-4:C-4:	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	N(CC[6a]HH)2(CCHH)	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	N(CC[6a]HH)2(CCHH)	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:	C(CC[6a]C[5]H)(NHH)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	N(CCHH)(H)2	C(CC[6a]C[5]H)(NHH)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	N(CCHH)(H)2	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	N(CCHH)(COO)(H)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	N(CCHH)(COO)(H)	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:H-1:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	N(CCHH)(SCOO)(H)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	N(CCHH)(SCOO)(H)	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	110.2908	0.697	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	110.2908	0.697	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:S-4:H-1:	C(CC[6a]C[6]H)(NHS)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	N(CCHH)(SCOO)(H)	C(CC[6a]C[6]H)(NHS)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	N(CCHH)(SCOO)(H)	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	110.2908	0.697	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6a]-3:Si-4:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]SiH)(NHS)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]SiH)(NHS)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	N(SC[6a]OO)(CCHH)(H)	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	110.2908	0.697	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CN[5]O)(CCHO)(CHHN)(H)	N(CC[6a]HH)2(CCHH)	C(CCCH)(NCC)(H)2	C(CN[5]O)(CCHO)(CHHN)(H)	N(CC[6a]HH)2(CCHH)	112.1970	0.000	1	112.1970	0.000	1	112.3235	0.032	2	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CN[5]O)(CHHN)(CH3)(H)	N(CC[6a]HH)2(CCHH)	C(CCCH)(NCC)(H)2	C(CN[5]O)(CHHN)(CH3)(H)	N(CC[6a]HH)2(CCHH)	112.4500	0.000	1	112.4500	0.000	1	112.3235	0.032	2	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	N(CC[6a]HH)2(CCHH)	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	N(CC[6a]HH)2(CCHH)	116.0200	0.000	1	116.0200	0.000	1	114.5715	4.196	2	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	N(CCHH)(CH3)2	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	N(CCHH)(CH3)2	113.1230	0.000	1	113.1230	0.000	1	114.5715	4.196	2	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	S-4:C-4:C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	N(SC[6a]OO)(CCHH)2	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	N(SC[6a]OO)(CCHH)2	110.7830	0.000	1	110.7830	0.000	1	111.8278	1.121	4	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	S-4:C-4:C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(SC[6a]OO)(CCHH)2	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(SC[6a]OO)(CCHH)2	111.8315	1.094	2	111.8315	1.197	2	111.8278	1.121	4	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	S-4:C-4:C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	N(SC[6a]OO)(CCHH)(CH3)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	N(SC[6a]OO)(CCHH)(CH3)	112.8650	0.000	1	112.8650	0.000	1	111.8278	1.121	4	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:C-4:	C(CC[6a]C[6]H)(NCC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	N(CCHH)(CH3)2	C(CC[6a]C[6]H)(NCC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	N(CCHH)(CH3)2	113.9089	0.589	9	113.9089	0.347	9	113.9089	0.347	9	113.3074	1.619	18	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:	C(CC[6a]CO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	N(CCHH)(H)2	C(CC[6a]CO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	N(CCHH)(H)2	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	113.8300	5.848	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:1:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:S-2:	C-4:H-1:H-1:	C(CC[6a]CS)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(SC)	N(CCHH)(H)2	C(CC[6a]CS)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(SC)	N(CCHH)(H)2	115.5400	0.000	1	115.5400	0.000	1	115.5400	0.000	1	113.8300	5.848	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:3:1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:S-3:H-1:	C(CC[6a]CO)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	N(CCHH)(SCO)(H)	C(CC[6a]CO)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	N(CCHH)(SCO)(H)	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(OH)	N(CCHH)3	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(OH)	N(CCHH)3	112.0220	0.584	2	112.0220	0.341	2	111.7103	0.462	3	112.8828	5.806	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	N(CC[6a]HH)(CCHH)(CH3)	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	N(CC[6a]HH)(CCHH)(CH3)	111.0870	0.000	1	111.0870	0.000	1	111.7103	0.462	3	112.8828	5.806	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	N-3:C-4:C-4:C-2:	C-4:C-4:C-4:	C(CCCN)(NCC)(H)2	C(NC[6]C)(CCCH)(CHHN)(CN)	N(CC[6a]HH)2(CCHH)	C(CCCN)(NCC)(H)2	C(NC[6]C)(CCCH)(CHHN)(CN)	N(CC[6a]HH)2(CCHH)	116.4000	0.000	1	116.4000	0.000	1	116.4000	0.000	1	112.8828	5.806	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:3:	4:4:4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	S-4:C-4:C-4:	C(CC[5a]CC)(NCS)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	N(SC[6a]OO)(CCHH)2	C(CC[5a]CC)(NCS)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	N(SC[6a]OO)(CCHH)2	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	113.0803	2.484	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:3:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:C-4:	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(NOO)	N(CC[6a]HH)(CCHH)2	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(NOO)	N(CC[6a]HH)(CCHH)2	112.3710	1.396	2	112.3710	1.948	2	112.3710	1.948	2	113.0803	2.484	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	N(CCHH)2(CH3)	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	N(CCHH)2(CH3)	115.0105	1.694	2	115.0105	2.868	2	115.0105	2.868	2	114.3502	2.678	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:4:4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	S-4:C-4:C-4:	C(CC[6a]CC)(NCS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	N(SC[6a]OO)(CCHH)2	C(CC[6a]CC)(NCS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	N(SC[6a]OO)(CCHH)2	115.1055	0.118	2	115.1055	0.014	2	115.1055	0.014	2	114.3502	2.678	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	3:4:4:4:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:C-4:C-4:	C(CN[6]CC)(NCC)(H)2	C(N[6]C[6]2)(CHHN)2(CH3)	N(CCHH)2(CH3)	C(CN[6]CC)(NCC)(H)2	C(N[6]C[6]2)(CHHN)2(CH3)	N(CCHH)2(CH3)	112.9345	2.118	2	112.9345	4.485	2	112.9345	4.485	2	114.3502	2.678	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	2:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[4a])(CCHH)2	112.8970	1.079	4	112.8970	1.164	4	112.8970	1.164	4	112.8970	1.164	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:H-1:	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)(H)	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)(H)	112.9970	0.000	1	112.9970	0.000	1	112.9970	0.000	1	112.9970	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:N-3:	C(CH3)(NNP)(H)2	C(CHHN)(H)3	N(PC[6a]2)(CCHH)(NCP)	C(CH3)(NNP)(H)2	C(CHHN)(H)3	N(PC[6a]2)(CCHH)(NCP)	114.1480	0.744	2	114.1480	0.553	2	114.1480	0.553	2	114.1480	0.553	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5]N)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5]N)(CCHH)2	112.6698	1.186	10	112.6698	1.406	10	112.9459	1.667	12	113.5171	1.702	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[6]O)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[6]O)(CCHH)2	114.3265	1.054	2	114.3265	1.112	2	112.9459	1.667	12	113.5171	1.702	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]O)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]O)(CCHH)2	113.9975	2.099	4	113.9975	4.404	4	113.9203	1.414	17	113.5171	1.702	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5a]N)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5a]N)(CCHH)2	113.9680	0.896	10	113.9680	0.802	10	113.9203	1.414	17	113.5171	1.702	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)(CH3)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)(CH3)	112.5190	0.000	1	112.5190	0.000	1	113.9203	1.414	17	113.5171	1.702	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]N)(CCHH)2	114.2280	0.010	2	114.2280	0.000	2	113.9203	1.414	17	113.5171	1.702	29	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CH3)(NHH)(H)2	C(CHHN)(H)3	N(CCHH)(H)2	C(CH3)(NHH)(H)2	C(CHHN)(H)3	N(CCHH)(H)2	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNO)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNO)(H)	112.4820	0.000	1	112.4820	0.000	1	111.8740	0.739	2	111.8740	0.739	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNS)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)(CNS)(H)	111.2660	0.000	1	111.2660	0.000	1	111.8740	0.739	2	111.8740	0.739	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:S-4:H-1:	C(CClHH)(NHS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(SNOO)(H)	C(CClHH)(NHS)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(SNOO)(H)	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	112.2614	11.894	36	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:H-1:	C(CF3)(NCH)(H)2	C(CHHN)(F)3	N(CCCH)(CCHH)(H)	C(CF3)(NCH)(H)2	C(CHHN)(F)3	N(CCCH)(CCHH)(H)	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	112.2614	11.894	36	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:F-1:H-1:H-1:	S-4:C-4:H-1:	C(CFHH)(NHS)(H)2	C(CHHN)(F)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CFHH)(NHS)(H)2	C(CHHN)(F)(H)2	N(SC[6a]OO)(CCHH)(H)	112.3050	0.000	1	112.3050	0.000	1	112.3050	0.000	1	112.2614	11.894	36	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(H)	110.7625	0.009	2	110.7625	0.000	2	112.2693	13.708	31	112.2614	11.894	36	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)2(H)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	N(CCHH)2(H)	112.3732	3.810	29	112.3732	14.514	29	112.2693	13.708	31	112.2614	11.894	36	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(PC[6a]CrN)(CCHH)(H)	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(PC[6a]CrN)(CCHH)(H)	111.5550	0.000	1	111.5550	0.000	1	112.2455	0.954	2	112.2614	11.894	36	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(PN[6]NN)(CCHH)(H)	C(CH3)(NHP)(H)2	C(CHHN)(H)3	N(PN[6]NN)(CCHH)(H)	112.9360	0.000	1	112.9360	0.000	1	112.2455	0.954	2	112.2614	11.894	36	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CN)	112.7150	0.040	2	112.7150	0.002	2	112.7150	0.002	2	113.2766	2.751	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CH3)(NCO)(H)2	C(CHHN)(H)3	N(CCHH)2(OC)	C(CH3)(NCO)(H)2	C(CHHN)(H)3	N(CCHH)2(OC)	111.4805	0.292	2	111.4805	0.085	2	111.4805	0.085	2	113.2766	2.751	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CCHH)2(SC)	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CCHH)2(SC)	115.5215	0.547	2	115.5215	0.299	2	114.4555	2.177	4	113.2766	2.751	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CCHH)2(SS)	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CCHH)2(SS)	113.3895	1.299	2	113.3895	1.687	2	114.4555	2.177	4	113.2766	2.751	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCC)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CCC)	112.0330	0.216	2	112.0330	0.047	2	112.5592	73.674	19	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)	98.2034	9.175	2	98.2034	84.179	2	112.5592	73.674	19	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHO)	125.8115	20.638	2	125.8115	425.940	2	112.5592	73.674	19	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNN)	113.1255	0.937	4	113.1255	0.877	4	112.5592	73.674	19	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNO)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNO)	111.3948	3.418	4	111.3948	11.685	4	112.5592	73.674	19	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CZrC)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CZrC)	113.8600	0.455	4	113.8600	0.207	4	112.5592	73.674	19	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(CCH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(CCH)	113.0090	0.000	1	113.0090	0.000	1	112.5592	73.674	19	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)(NCN)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(NCH)	C(CH3)(NCN)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(NCH)	111.9060	0.107	2	111.9060	0.012	2	111.9060	0.012	2	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNN)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNN)	114.8992	1.649	4	114.8992	2.721	4	115.1161	4.376	18	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNP)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNP)	115.1781	2.253	14	115.1781	5.077	14	115.1161	4.376	18	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:P-3:	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(CCHH)(PO3)(POO)	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(CCHH)(PO3)(POO)	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2Pd)(CCHH)(CNO)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2Pd)(CCHH)(CNO)	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	113.6580	36.747	41	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]2H)(CCHH)2	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]2H)(CCHH)2	115.0630	0.000	1	115.0630	0.000	1	111.7776	9.520	5	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]HH)(CCHH)2	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]HH)(CCHH)2	110.9562	2.863	4	110.9562	8.195	4	111.7776	9.520	5	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P-4:C-4:C-4:	C(CClHH)(NCP)(H)2	C(CHHN)(Cl)(H)2	N(PCl2O)(CCHH)2	C(CClHH)(NCP)(H)2	C(CHHN)(Cl)(H)2	N(PCl2O)(CCHH)2	112.8015	1.942	2	112.8015	3.773	2	112.8015	3.773	2	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	S-4:C-4:C-4:	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	N(SC[6a]OO)(CCHH)2	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	N(SC[6a]OO)(CCHH)2	112.9675	0.633	2	112.9675	0.401	2	112.9675	0.401	2	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-4:	C(CF3)(NCC)(H)2	C(CHHN)(F)3	N(CCHH)3	C(CF3)(NCC)(H)2	C(CHHN)(F)3	N(CCHH)3	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[6a]3)(CCHH)2	C(CH3)(NBC)(H)2	C(CHHN)(H)3	N(BC[6a]3)(CCHH)2	115.1123	0.541	4	115.1123	0.292	4	115.1123	0.292	4	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CAlNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CAlNN)(CCHH)2	113.0370	1.063	2	113.0370	1.131	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCCH)2(CCHH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCCH)2(CCHH)	113.0900	0.000	1	113.0900	0.000	1	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CHHN)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)(CHHN)2	114.5930	0.000	1	114.5930	0.000	1	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHHP)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CHHP)	113.7590	3.462	2	113.7590	11.985	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNNY)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CNNY)	112.5240	0.000	1	112.5240	0.000	1	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSSV)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)2(CSSV)	112.5635	1.112	2	112.5635	1.237	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)3	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CCHH)3	113.5895	2.603	108	113.5895	6.776	108	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[3x3,4,3x5,14x6]C[6a]H)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[3x3,4,3x5,14x6]C[6a]H)(CCHH)2	112.6475	1.406	2	112.6475	1.978	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)2	114.0801	2.150	8	114.0801	4.624	8	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5a]HH)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5a]HH)(CCHH)2	115.1600	2.520	8	115.1600	6.348	8	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5a]HH)2(CCHH)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[5a]HH)2(CCHH)	112.6240	0.000	1	112.6240	0.000	1	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6]HH)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6]HH)(CCHH)2	113.4770	1.168	2	113.4770	1.365	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)2	113.8770	2.602	21	113.8770	6.773	21	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CDyNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CDyNN)(CCHH)2	112.2247	0.334	3	112.2247	0.111	3	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CGdNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CGdNN)(CCHH)2	112.7503	2.191	3	112.7503	4.802	3	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CHfNO)(CCHH)(CH3)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CHfNO)(CCHH)(CH3)	112.6720	0.784	3	112.6720	0.615	3	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CIrNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CIrNN)(CCHH)2	112.3410	0.180	2	112.3410	0.032	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CMoCC)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CMoCC)(CCHH)2	112.9390	1.745	2	112.9390	3.046	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5a]HH)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CN[5a]HH)(CCHH)2	114.2680	1.264	4	114.2680	1.597	4	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CSnOO)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CSnOO)(CCHH)2	112.2308	0.206	4	112.2308	0.042	4	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CTiCS)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CTiCS)(CCHH)2	113.0430	0.304	2	113.0430	0.092	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CTiNS)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CTiNS)(CCHH)2	112.6508	0.402	4	112.6508	0.162	4	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CZnNN)(CCHH)2	C(CH3)(NCC)(H)2	C(CHHN)(H)3	N(CZnNN)(CCHH)2	113.4550	0.062	2	113.4550	0.004	2	113.5633	5.526	188	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PCNN)	113.6174	0.601	5	113.6174	0.361	5	113.3807	0.798	23	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PN3)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PN3)	113.5410	1.570	2	113.5410	2.464	2	113.3807	0.798	23	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNNO)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNNO)	113.3470	0.549	10	113.3470	0.301	10	113.3807	0.798	23	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNOS)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PNOS)	113.0797	1.755	4	113.0797	3.081	4	113.3807	0.798	23	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PO3)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(CCHH)2(PO3)	113.3995	0.988	2	113.3995	0.976	2	113.3807	0.798	23	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-4:	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CCHH)2(SCOO)	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CCHH)2(SCOO)	112.0375	1.722	2	112.0375	2.965	2	112.0375	2.965	2	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(SC[6a]OO)(CCHH)	114.2837	1.816	3	114.2837	3.299	3	114.2837	3.299	3	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]CrP)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]CrP)(CCHH)2	113.0460	0.682	4	113.0460	0.465	4	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]Fe2)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]Fe2)(CCHH)2	114.3280	2.529	2	114.3280	6.394	2	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]PdO)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[5]PdO)(CCHH)2	113.6685	6.284	2	113.6685	39.489	2	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2O)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2O)(CCHH)2	115.2940	0.000	1	115.2940	0.000	1	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2S)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]2S)(CCHH)2	114.3178	1.330	4	114.3178	1.769	4	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]CuN)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]CuN)(CCHH)2	115.7150	1.486	8	115.7150	2.208	8	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]Fe2)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]Fe2)(CCHH)2	114.4715	1.780	2	114.4715	3.168	2	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]NS)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PC[6a]NS)(CCHH)2	113.0299	0.845	8	113.0299	0.713	8	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PLiNP)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PLiNP)(CCHH)2	114.6213	1.725	4	114.6213	2.974	4	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PPdNO)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PPdNO)(CCHH)2	113.4304	1.628	12	113.4304	2.652	12	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PZnBN)(CCHH)2	C(CH3)(NCP)(H)2	C(CHHN)(H)3	N(PZnBN)(CCHH)2	114.3625	1.877	2	114.3625	3.525	2	114.0412	3.356	49	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PC[6a]2Fe)2(CCHH)	C(CH3)(NPP)(H)2	C(CHHN)(H)3	N(PC[6a]2Fe)2(CCHH)	114.2555	0.196	2	114.2555	0.038	2	114.2555	0.038	2	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(SC[6a]OO)(CCHH)2	C(CH3)(NCS)(H)2	C(CHHN)(H)3	N(SC[6a]OO)(CCHH)2	113.2767	1.502	4	113.2767	2.257	4	113.2767	2.257	4	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(H)2(N)	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(H)2(N)	N(CCHH)3	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(H)2(O)	N(CCHH)3	C(CHHO)(NCC)(H)2	C(CHHN)(H)2(O)	N(CCHH)3	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	113.6202	4.732	287	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(H)2	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	110.4750	3.754	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:	C(CHHS)(NHH)(H)2	C(CHHN)(SRe)(H)2	N(CCHH)(H)2	C(CHHS)(NHH)(H)2	C(CHHN)(SRe)(H)2	N(CCHH)(H)2	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	110.4750	3.754	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CN)(H)2	N(CC[6a]CH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CN)(H)2	N(CC[6a]CH)(CCHH)(H)	110.8715	0.620	2	110.8715	0.385	2	110.8715	0.385	2	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CC3)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CC3)(H)	111.4420	0.000	1	111.4420	0.000	1	110.9531	2.344	18	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2(H)	111.0516	1.637	15	111.0516	2.680	15	110.9531	2.344	18	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]3)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]3)(CCHH)(H)	109.9695	0.111	2	109.9695	0.012	2	110.9531	2.344	18	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NS)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NS)(H)2	N(SC[6a]OO)(CCHH)(H)	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(H)	111.1630	1.342	21	111.1630	1.802	21	110.9077	1.594	31	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)(H)	110.2243	0.817	3	110.2243	0.668	3	110.9077	1.594	31	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(H)	109.9368	0.594	4	109.9368	0.353	4	110.9077	1.594	31	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[5a]HH)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[5a]HH)(CCHH)(H)	110.1190	0.000	1	110.1190	0.000	1	110.9077	1.594	31	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]CH)(CCHH)(H)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]CH)(CCHH)(H)	111.5875	1.139	2	111.5875	1.298	2	110.9077	1.594	31	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	N(PC[6a]2Pd)(CCHH)(H)	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	N(PC[6a]2Pd)(CCHH)(H)	110.5295	1.365	2	110.5295	1.864	2	110.9010	0.816	4	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	N(PC[6a]2Pt)(CCHH)(H)	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	N(PC[6a]2Pt)(CCHH)(H)	111.2725	0.180	2	111.2725	0.033	2	110.9010	0.816	4	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(NHS)(H)2	C(CHHN)(OC)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHO)(NHS)(H)2	C(CHHN)(OC)(H)2	N(SC[6a]OO)(CCHH)(H)	112.2117	2.365	3	112.2117	5.595	3	112.2117	5.595	3	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	N(CC[6a]HH)(CCHH)(H)	110.7160	0.788	2	110.7160	0.620	2	110.7160	0.620	2	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:	C(CHHS)(NHP)(H)2	C(CHHN)(SNi)(H)2	N(PNiCC)(CCHH)(H)	C(CHHS)(NHP)(H)2	C(CHHN)(SNi)(H)2	N(PNiCC)(CCHH)(H)	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	110.9650	1.833	62	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	S-4:C-4:S-2:	C(CHHS)(NSS)(H)2	C(CHHN)(SN)(H)2	N(SC[6a]OO)(CCHH)(SC)	C(CHHS)(NSS)(H)2	C(CHHN)(SN)(H)2	N(SC[6a]OO)(CCHH)(SC)	123.1590	0.000	1	123.1590	0.000	1	123.1590	0.000	1	123.1590	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CCO)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CCO)	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CC)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(CC)(H)2	N(CCHH)3	118.7005	0.180	2	118.7005	0.033	2	113.4137	5.832	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCCH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCCH)(CCHH)2	111.6670	0.000	1	111.6670	0.000	1	113.4137	5.832	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCHH)2(CC3)	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCHH)2(CC3)	109.9470	0.000	1	109.9470	0.000	1	113.4137	5.832	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CCHH)3	113.2645	1.522	13	113.2645	2.316	13	113.4137	5.832	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	N(CC[6a]HH)(CCHH)2	111.7035	0.214	2	111.7035	0.046	2	113.4137	5.832	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CC)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)(CC)(H)2	N(SC[6a]OO)(CCHH)2	113.3030	0.000	1	113.3030	0.000	1	113.1893	0.068	3	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)(CN)(H)2	N(SC[6a]OO)(CCHH)2	113.1325	0.343	2	113.1325	0.118	2	113.1893	0.068	3	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CH3)2	118.6380	0.000	1	118.6380	0.000	1	112.9592	2.108	145	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)3	112.9334	1.402	122	112.9334	1.965	122	112.9592	2.108	145	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CC[5]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CC[5]HH)(CCHH)2	112.2127	2.445	4	112.2127	5.980	4	112.9592	2.108	145	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]HH)(CCHH)2	113.0583	0.818	15	113.0583	0.669	15	112.9592	2.108	145	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NH)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NH)(H)2	N(CCHH)3	113.3775	0.032	2	113.3775	0.001	2	112.9592	2.108	145	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NS)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NS)(H)2	N(CC[6a]HH)(CCHH)2	111.0940	0.000	1	111.0940	0.000	1	112.9592	2.108	145	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CHHP)2	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CHHP)2	114.4180	0.000	1	114.4180	0.000	1	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CHHS)2	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CHHS)2	112.3599	2.419	11	112.3599	5.851	11	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CHHP)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CHHP)	114.5235	1.036	4	114.5235	1.073	4	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)3	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CCHH)3	113.2162	1.588	26	113.2162	2.520	26	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[5]HH)2(CCHH)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[5]HH)2(CCHH)	117.2297	2.049	4	117.2297	4.200	4	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6]HH)(CCHH)2	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6]HH)(CCHH)2	113.5327	1.626	10	113.5327	2.644	10	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)(CH3)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)(CH3)	110.5240	0.000	1	110.5240	0.000	1	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)2	113.7228	1.821	46	113.7228	3.317	46	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)2(CCHH)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)2(CCHH)	113.9136	2.659	7	113.9136	7.069	7	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OGe)(H)2	N(CCHH)2(CH3)	C(CHHO)(NCC)(H)2	C(CHHN)(OGe)(H)2	N(CCHH)2(CH3)	107.9595	0.646	2	107.9595	0.417	2	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OGe)(H)2	N(CCHH)3	C(CHHO)(NCC)(H)2	C(CHHN)(OGe)(H)2	N(CCHH)3	107.6547	0.380	9	107.6547	0.145	9	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CHHN)2	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CHHN)2	110.0370	0.000	1	110.0370	0.000	1	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CHHS)2	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CHHS)2	111.6920	0.000	1	111.6920	0.000	1	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CC3)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CC3)	113.2953	1.185	3	113.2953	1.405	3	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CH3)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CH3)	112.7710	0.000	1	112.7710	0.000	1	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3	112.9659	1.595	9	112.9659	2.545	9	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]CH)(CCHH)(CH3)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]CH)(CCHH)(CH3)	111.6280	0.000	1	111.6280	0.000	1	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HH)(CCHH)2	112.5387	1.729	18	112.5387	2.990	18	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OP)(H)2	N(CCHH)(CHHS)2	C(CHHO)(NCC)(H)2	C(CHHN)(OP)(H)2	N(CCHH)(CHHS)2	116.5610	0.000	1	116.5610	0.000	1	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)2(CH3)	C(CHHO)(NCC)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)2(CH3)	105.9395	0.849	2	105.9395	0.721	2	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)3	C(CHHO)(NCC)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)3	106.7968	2.328	60	106.7968	5.418	60	111.2155	13.491	218	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:S-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	N(CC[6]HH)(CCHH)(SCOO)	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	N(CC[6]HH)(CCHH)(SCOO)	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:S-4:C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:P-4:C-4:	C(CHHO)(NPP)(H)2	C(CHHN)(OC)(H)2	N(PC[6a]2Rh)(PC[6a]2C)(CCHH)	C(CHHO)(NPP)(H)2	C(CHHN)(OC)(H)2	N(PC[6a]2Rh)(PC[6a]2C)(CCHH)	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	N(SC[6a]OO)(CCHH)2	113.4519	2.723	12	113.4519	7.417	12	112.7496	6.810	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OH)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHO)(NCS)(H)2	C(CHHN)(OH)(H)2	N(SC[6a]OO)(CCHH)2	112.1562	2.031	4	112.1562	4.127	4	112.7496	6.810	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	N(SC[6a]OO)(CCHH)2	109.5400	0.747	2	109.5400	0.558	2	112.7496	6.810	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	N(SC[6a]OO)(CC[6]HH)(CCHH)	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	N(SC[6a]OO)(CC[6]HH)(CCHH)	113.1150	0.000	1	113.1150	0.000	1	112.7496	6.810	19	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CHHS)2	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CHHS)2	109.6340	0.000	1	109.6340	0.000	1	113.7480	3.405	34	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CH3)	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CH3)	114.3990	0.100	2	114.3990	0.010	2	113.7480	3.405	34	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)3	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)3	113.9824	2.017	17	113.9824	4.067	17	113.7480	3.405	34	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	N(CC[6a]HH)(CCHH)2	113.3100	1.605	7	113.3100	2.575	7	113.7480	3.405	34	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SH)(H)2	N(CCHH)3	C(CHHS)(NCC)(H)2	C(CHHN)(SH)(H)2	N(CCHH)3	115.3540	0.000	1	115.3540	0.000	1	113.7480	3.405	34	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SIn)(H)2	N(CCHH)(CH3)2	C(CHHS)(NCC)(H)2	C(CHHN)(SIn)(H)2	N(CCHH)(CH3)2	113.7957	1.354	6	113.7957	1.835	6	113.7480	3.405	34	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	S-4:C-4:C-4:	C(CHHS)(NCS)(H)2	C(CHHN)(SC)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHS)(NCS)(H)2	C(CHHN)(SC)(H)2	N(SC[6a]OO)(CCHH)2	111.8240	1.549	5	111.8240	2.398	5	111.8240	2.398	5	112.1704	9.000	446	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	P-4:C-4:H-1:	C(CHOO)(NHP)(H)2	C(CHHN)(OC)2(H)	N(PC[6a]2Pd)(CCHH)(H)	C(CHOO)(NHP)(H)2	C(CHHN)(OC)2(H)	N(PC[6a]2Pd)(CCHH)(H)	110.7720	0.000	2	110.7720	0.000	2	110.7720	0.000	2	110.7720	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:C-4:C-4:	C(CHOO)(NCC)(H)2	C(CHHN)(OC)2(H)	N(CCHH)(CHHP)2	C(CHOO)(NCC)(H)2	C(CHHN)(OC)2(H)	N(CCHH)(CHHP)2	112.2220	2.865	2	112.2220	8.209	2	112.2220	8.209	2	113.1647	6.771	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:2:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:S-4:C-4:	C(CHOO)(NCS)(H)2	C(CHHN)(OC)2(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CHOO)(NCS)(H)2	C(CHHN)(OC)2(H)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	113.1647	6.771	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CC[6a]C)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CC[6a]C)(CCHH)(H)	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-3:C-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NSiC)(H)2	N(PC[5,6]C)(CCCH)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NSiC)(H)2	N(PC[5,6]C)(CCCH)(CCHH)	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(H)2	112.5987	1.903	12	112.5987	3.622	12	113.3434	23.340	80	113.3908	23.230	81	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)2	110.5794	3.013	5	110.5794	9.077	5	113.3434	23.340	80	113.3908	23.230	81	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(H)2	113.7966	5.373	59	113.7966	28.874	59	113.3434	23.340	80	113.3908	23.230	81	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NHS)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NHS)(H)2	N(CCHH)(H)2	112.3465	3.267	4	112.3465	10.672	4	113.3434	23.340	80	113.3908	23.230	81	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHS)(NHH)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)(H)2	C(CHHS)(NHH)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)(H)2	117.1900	0.000	1	117.1900	0.000	1	117.1900	0.000	1	113.3908	23.230	81	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNS)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNS)(H)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:3:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CCC)(NCH)	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CCC)(NCH)	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	N(CCCH)(CCHH)(H)	114.6450	0.000	1	114.6450	0.000	1	114.8492	5.192	4	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCCH)(CCHH)(H)	111.7020	0.000	1	111.7020	0.000	1	114.8492	5.192	4	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(H)	116.5250	0.112	2	116.5250	0.012	2	114.8492	5.192	4	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:S-4:H-1:	C(CCHH)(NHS)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(SNOO)(H)	C(CCHH)(NHS)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(SNOO)(H)	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NAlC)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NAlC)(H)2	N(CCHH)2(H)	114.6780	0.826	2	114.6780	0.682	2	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CC3)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CC3)(H)	111.2085	2.248	2	111.2085	5.053	2	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(H)	112.1793	1.771	24	112.1793	3.136	24	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CCHH)(H)	108.9970	0.000	1	108.9970	0.000	1	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(H)	110.8933	1.582	32	110.8933	2.504	32	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	110.4966	0.834	8	110.4966	0.696	8	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CC3)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CC3)(H)	110.5860	0.000	1	110.5860	0.000	1	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(H)	112.1391	2.252	77	112.1391	5.073	77	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]HH)(CCHH)(H)	116.0810	0.615	4	116.0810	0.378	4	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]CH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]CH)(CCHH)(H)	110.9510	2.068	2	110.9510	4.275	2	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCHH)(H)	111.6780	1.132	9	111.6780	1.280	9	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)2(H)	107.1020	0.448	2	107.1020	0.201	2	111.8077	4.660	164	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(SCOO)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(SCOO)(H)	110.3536	2.182	5	110.3536	4.762	5	110.3536	4.762	5	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PC[6a]2B)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	N(PC[6a]2B)(CCHH)(H)	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(H)	109.3272	0.526	6	109.3272	0.277	6	110.2675	2.294	13	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)(H)	109.3345	1.216	2	109.3345	1.477	2	110.2675	2.294	13	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NHH)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NHH)(H)2	N(SC[6a]OO)(CCHH)(H)	112.3270	1.405	3	112.3270	1.973	3	110.2675	2.294	13	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(CHHN)(NHS)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(CHHN)(NHS)(H)2	N(SC[6a]OO)(CCHH)(H)	110.9325	0.248	2	110.9325	0.062	2	110.2675	2.294	13	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:	C(CHHS)(NHP)(H)2	C(CHHN)(SNiC)(H)2	N(PNiCC)(CCHH)(H)	C(CHHS)(NHP)(H)2	C(CHHN)(SNiC)(H)2	N(PNiCC)(CCHH)(H)	113.7470	0.000	1	113.7470	0.000	1	113.7470	0.000	1	111.7254	4.834	189	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:	C(CCHH)(NCO)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(OH)	C(CCHH)(NCO)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(OH)	113.1175	0.433	2	113.1175	0.188	2	113.1175	0.188	2	113.1175	0.188	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]HH)(CCHH)(NCH)	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]HH)(CCHH)(NCH)	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	112.3659	7.687	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CCC)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CCC)	113.8670	0.288	3	113.8670	0.083	3	113.8193	0.065	4	112.3659	7.687	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CCH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CCH)	113.6760	0.000	1	113.6760	0.000	1	113.8193	0.065	4	112.3659	7.687	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-3:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PNN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PNN)	116.5090	0.000	1	116.5090	0.000	1	112.9920	24.739	2	112.3659	7.687	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-3:	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(CCHH)(CH3)(PCC)	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(CCHH)(CH3)(PCC)	109.4750	0.000	1	109.4750	0.000	1	112.9920	24.739	2	112.3659	7.687	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:In-3:	C(CHHN)(NInS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(InCN)	C(CHHN)(NInS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(InCN)	108.6945	0.545	2	108.6945	0.297	2	108.6945	0.297	2	112.3659	7.687	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]CH)(CC[5]CH)(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]CH)(CC[5]CH)(CCHH)	112.6080	0.000	1	112.6080	0.000	1	112.8540	3.361	21	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CCO)(H)2	N(CC[6a]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CCO)(H)2	N(CC[6a]HH)2(CCHH)	112.0930	0.000	1	112.0930	0.000	1	112.8540	3.361	21	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(CHN)(H)2	N(CCHH)3	112.4460	0.000	1	112.4460	0.000	1	112.8540	3.361	21	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)3	113.2811	2.080	12	113.2811	4.327	12	112.8540	3.361	21	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	N(CC[6a]HH)(CCHH)2	113.0440	0.103	4	113.0440	0.011	4	112.8540	3.361	21	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	N(CCHH)3	112.4160	0.000	1	112.4160	0.000	1	112.8540	3.361	21	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	N(CC[6]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	N(CC[6]HH)2(CCHH)	108.8220	0.000	1	108.8220	0.000	1	112.8540	3.361	21	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:S-4:	C(CCHH)(NCS)(H)2	C(CHHN)(COO)(H)2	N(CCHH)2(SCOO)	C(CCHH)(NCS)(H)2	C(CHHN)(COO)(H)2	N(CCHH)2(SCOO)	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CCH)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)(CCH)(H)2	N(SC[6a]OO)(CCHH)2	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NAlC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NAlC)(H)2	N(CCHH)(CH3)2	111.8967	1.013	3	111.8967	1.027	3	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)2	113.9470	1.858	25	113.9470	3.454	25	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)2	112.3413	3.945	50	112.3413	15.565	50	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CHHN)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CHHN)2	115.9842	1.421	10	115.9842	2.019	10	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CHHP)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CHHP)2	113.2510	0.000	1	113.2510	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CHHS)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CHHS)2	115.5760	0.000	1	115.5760	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CC3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CC3)	113.4815	1.460	6	113.4815	2.133	6	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)	111.8531	2.375	59	111.8531	5.639	59	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CHHP)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CHHP)	117.7911	0.800	8	117.7911	0.641	8	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)3	112.6921	2.154	129	112.6921	4.639	129	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]HH)(CCHH)2	112.3950	0.973	4	112.3950	0.947	4	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5]HH)2(CCHH)	111.7720	0.000	1	111.7720	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CCHH)2	111.7145	1.296	2	111.7145	1.680	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CC[6a]HH)(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CC[6a]HH)(CCHH)	110.9557	1.373	3	110.9557	1.886	3	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)2(CCHH)	110.7775	0.230	2	110.7775	0.053	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)2	112.7493	0.537	4	112.7493	0.288	4	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)2(CCHH)	115.3030	0.000	1	115.3030	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCCH)(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCCH)(CCHH)	111.2550	0.000	1	111.2550	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CH3)	112.3929	1.885	22	112.3929	3.554	22	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)2	113.3568	1.753	112	113.3568	3.073	112	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)2(CCHH)	113.4076	2.063	32	113.4076	4.257	32	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CIrHH)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CIrHH)(CCHH)(CH3)	111.7080	0.000	1	111.7080	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CZrNO)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	N(CZrNO)(CCHH)(CH3)	112.5610	1.096	4	112.5610	1.202	4	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)2	112.0120	0.000	1	112.0120	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)2	112.8680	0.864	9	112.8680	0.747	9	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CH3)	112.8822	1.690	12	112.8822	2.855	12	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)3	112.7658	1.805	247	112.7658	3.257	247	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[5]HH)(CCHH)2	112.2165	0.029	2	112.2165	0.001	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[5a]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[5a]HH)2(CCHH)	110.7450	0.000	1	110.7450	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)	114.8170	0.000	1	114.8170	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCHH)2	112.8146	1.567	23	112.8146	2.454	23	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)2(CCHH)	113.1770	0.116	2	113.1770	0.013	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCP)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCP)(H)2	N(CCHH)3	109.8406	4.636	65	109.8406	21.493	65	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCW)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCW)(H)2	N(CCHH)3	111.8817	2.928	3	111.8817	8.575	3	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCoC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCoC)(H)2	N(CCHH)3	110.9824	0.839	8	110.9824	0.704	8	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCrC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCrC)(H)2	N(CCHH)3	110.9152	0.978	5	110.9152	0.957	5	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCCH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCCH)2(CCHH)	111.3040	2.249	4	111.3040	5.057	4	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)(CH3)2	113.4220	0.000	1	113.4220	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3	112.6219	1.923	114	112.6219	3.699	114	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NGaS)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NGaS)(H)2	N(CCHH)3	108.3390	0.015	3	108.3390	0.000	3	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NGeC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NGeC)(H)2	N(CCHH)3	107.7890	0.909	3	107.7890	0.826	3	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)3	113.1802	0.856	12	113.1802	0.733	12	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NHS)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NHS)(H)2	N(CCHH)3	111.7776	0.748	5	111.7776	0.560	5	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NHS)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NHS)(H)2	N(CC[6a]HH)(CCHH)2	112.6661	0.821	7	112.6661	0.674	7	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NInS)(H)2	N(CC[6]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NInS)(H)2	N(CC[6]HH)(CCHH)2	109.9850	0.424	2	109.9850	0.180	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NInS)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NInS)(H)2	N(CC[6a]HH)(CCHH)2	112.3300	1.585	2	112.3300	2.513	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NMgC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NMgC)(H)2	N(CCHH)3	110.0707	0.197	3	110.0707	0.039	3	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NMnC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NMnC)(H)2	N(CCHH)3	110.8021	0.787	15	110.8021	0.619	15	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NMoC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NMoC)(H)2	N(CCHH)(CH3)2	112.0100	0.000	1	112.0100	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)3	112.4116	1.086	12	112.4116	1.180	12	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NPP)(H)2	N(CCCH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NPP)(H)2	N(CCCH)2(CCHH)	110.0860	0.000	1	110.0860	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NPtC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NPtC)(H)2	N(CCHH)(CH3)2	111.5940	0.000	1	111.5940	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NReC)(H)2	N(CCCH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NReC)(H)2	N(CCCH)2(CCHH)	111.1800	0.000	1	111.1800	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NScC)(H)2	N(CCCH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NScC)(H)2	N(CCCH)2(CCHH)	110.1095	2.208	2	110.1095	4.877	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NSi2)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NSi2)(H)2	N(CCHH)3	110.0587	0.415	3	110.0587	0.172	3	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NSnC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NSnC)(H)2	N(CCHH)(CH3)2	112.5265	1.196	2	112.5265	1.430	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	N(CCCH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	N(CCCH)2(CCHH)	113.3320	0.000	1	113.3320	0.000	1	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)(CH3)2	111.3955	1.128	2	111.3955	1.272	2	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)3	111.3754	0.796	30	111.3754	0.634	30	112.4984	6.029	1087	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)(PN3)	113.4150	0.817	8	113.4150	0.668	8	111.5729	15.004	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PHNN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PHNN)	106.0120	0.000	1	106.0120	0.000	1	111.5729	15.004	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PINN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PINN)	108.0870	0.098	2	108.0870	0.010	2	111.5729	15.004	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(PN3)	116.2337	0.486	3	116.2337	0.236	3	111.5729	15.004	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:P-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PHNN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(PHNN)	106.1773	0.104	3	106.1773	0.011	3	111.5729	15.004	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PHNN)(CH3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PHNN)(CH3)	106.5395	0.241	2	106.5395	0.058	2	111.4143	15.198	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PNNO)(CH3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(PNNO)(CH3)	107.2334	0.266	5	107.2334	0.071	5	111.4143	15.198	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PCoNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PCoNN)(CCHH)	113.7293	1.338	3	113.7293	1.790	3	111.4143	15.198	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PNiNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(PNiNN)(CCHH)	113.2760	0.503	2	113.2760	0.253	2	111.4143	15.198	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PCoNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PCoNN)(CCHH)	116.0530	0.000	1	116.0530	0.000	1	111.4143	15.198	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PNiNN)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(PNiNN)(CCHH)	115.2510	0.467	4	115.2510	0.218	4	111.4143	15.198	17	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	113.3785	1.463	2	113.3785	2.140	2	112.5427	3.166	3	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(CC[6a]HH)(SC[6a]OO)(CCHH)	110.8710	0.000	1	110.8710	0.000	1	112.5427	3.166	3	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	Ge-4:C-4:C-4:	C(CHHN)(NGeC)(H)2	C(CHHN)(NCC)(H)2	N(GeC[6a]NN)(CCHH)(CH3)	C(CHHN)(NGeC)(H)2	C(CHHN)(NCC)(H)2	N(GeC[6a]NN)(CCHH)(CH3)	110.3493	0.967	3	110.3493	0.935	3	110.3493	0.935	3	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	In-4:S-4:C-4:	C(CHHN)(NInS)(H)2	C(CHHN)(NCC)(H)2	N(InN[6]NN)(SC[6a]OO)(CCHH)	C(CHHN)(NInS)(H)2	C(CHHN)(NCC)(H)2	N(InN[6]NN)(SC[6a]OO)(CCHH)	109.8290	0.706	2	109.8290	0.498	2	109.8290	0.498	2	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(PC[6a]2O)(CCHH)2	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(PC[6a]2O)(CCHH)2	110.9130	0.000	1	110.9130	0.000	1	116.5425	10.162	6	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(PC[6a]2Pd)(CCHH)(CC3)	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	N(PC[6a]2Pd)(CCHH)(CC3)	117.9813	1.899	4	117.9813	3.607	4	116.5425	10.162	6	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NSiC)(H)2	N(PC[5,6]RhC)(CCCH)(CCHH)	C(CHHN)(NCP)(H)2	C(CHHN)(NSiC)(H)2	N(PC[5,6]RhC)(CCCH)(CCHH)	116.4170	0.000	1	116.4170	0.000	1	116.5425	10.162	6	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHN)(NCS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)2	113.6450	0.000	1	113.6450	0.000	1	112.7196	2.404	13	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	114.1990	0.000	1	114.1990	0.000	1	112.7196	2.404	13	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	N(SC[6a]OO)(CCHH)2	112.5010	1.590	11	112.5010	2.527	11	112.7196	2.404	13	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:Ga-4:	C(CHHN)(NGaS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(GaN3)	C(CHHN)(NGaS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)(GaN3)	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:C-4:	C(CHHN)(NSiC)(H)2	C(CHHN)(NCP)(H)2	N(SiC[6a]CN)(CCCH)(CCHH)	C(CHHN)(NSiC)(H)2	C(CHHN)(NCP)(H)2	N(SiC[6a]CN)(CCCH)(CCHH)	116.0840	0.298	2	116.0840	0.089	2	115.3567	1.632	3	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:C-4:	C(CHHN)(NSiC)(H)2	C(CHHN)(NTiC)(H)2	N(SiC[5]CC)(CCHH)(CH3)	C(CHHN)(NSiC)(H)2	C(CHHN)(NTiC)(H)2	N(SiC[5]CC)(CCHH)(CH3)	113.9020	0.000	1	113.9020	0.000	1	115.3567	1.632	3	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:Si-4:	C(CHHN)(NSi2)(H)2	C(CHHN)(NCC)(H)2	N(SiC[6a]NN)(CCHH)(SiC3)	C(CHHN)(NSi2)(H)2	C(CHHN)(NCC)(H)2	N(SiC[6a]NN)(CCHH)(SiC3)	110.9255	0.183	2	110.9255	0.034	2	110.9255	0.034	2	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OFe2)(H)2	N(CCHH)3	C(CHHO)(NCC)(H)2	C(CHHN)(OFe2)(H)2	N(CCHH)3	110.6113	0.260	6	110.6113	0.068	6	112.6415	7.828	12	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OLiC)(H)2	N(CCHH)3	C(CHHO)(NCC)(H)2	C(CHHN)(OLiC)(H)2	N(CCHH)3	113.1365	1.018	4	113.1365	1.037	4	112.6415	7.828	12	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OLiC)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHO)(NCC)(H)2	C(CHHN)(OLiC)(H)2	N(CC[6a]HH)(CCHH)2	117.7420	2.219	2	117.7420	4.924	2	112.6415	7.828	12	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:P-3:H-1:H-1:	Si-4:C-4:C-4:	C(CHHP)(NSiC)(H)2	C(CHHN)(PCC)(H)2	N(SiCCN)(CCHH)2	C(CHHP)(NSiC)(H)2	C(CHHN)(PCC)(H)2	N(SiCCN)(CCHH)2	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SAgC)(H)2	N(CC[6a]2H)(CCHH)2	C(CHHS)(NCC)(H)2	C(CHHN)(SAgC)(H)2	N(CC[6a]2H)(CCHH)2	114.1140	0.455	2	114.1140	0.207	2	112.7526	7.505	35	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SFe2)(H)2	N(CCCH)(CCHH)2	C(CHHS)(NCC)(H)2	C(CHHN)(SFe2)(H)2	N(CCCH)(CCHH)2	111.4287	2.091	12	111.4287	4.374	12	112.7526	7.505	35	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)3	C(CHHS)(NCC)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)3	112.9522	2.602	17	112.9522	6.769	17	112.7526	7.505	35	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SFeC)(H)2	N(CCHH)(CHHS)2	C(CHHS)(NCC)(H)2	C(CHHN)(SFeC)(H)2	N(CCHH)(CHHS)2	118.6990	0.383	2	118.6990	0.147	2	112.7526	7.505	35	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SPdC)(H)2	N(CCHH)3	C(CHHS)(NCC)(H)2	C(CHHN)(SPdC)(H)2	N(CCHH)3	111.6915	0.108	2	111.6915	0.012	2	112.7526	7.505	35	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:P-4:C-4:	C(CHHS)(NPP)(H)2	C(CHHN)(SPtC)(H)2	N(PC[6a]MoPt)(PC[6a]2Mo)(CCHH)	C(CHHS)(NPP)(H)2	C(CHHN)(SPtC)(H)2	N(PC[6a]MoPt)(PC[6a]2Mo)(CCHH)	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	112.4992	6.322	1226	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:C-4:H-1:	C(CFNN)(NCH)(H)2	C(CHHN)(NOO)2(F)	N(CCHH)2(H)	C(CFNN)(NCH)(H)2	C(CHHN)(NOO)2(F)	N(CCHH)2(H)	108.3595	0.078	2	108.3595	0.006	2	108.3595	0.006	2	108.3595	0.006	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:3:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:H-1:	C-4:C-4:N-3:	C(CHNN)(NCN)(H)2	C(CHHN)(NOO)2(H)	N(CCHH)2(NOO)	C(CHNN)(NCN)(H)2	C(CHHN)(NOO)2(H)	N(CCHH)2(NOO)	114.3210	0.000	1	114.3210	0.000	1	114.3210	0.000	1	114.3210	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:3:3:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:C-4:H-1:	C(CN3)(NCH)(H)2	C(CHHN)(NOO)3	N(CCHH)2(H)	C(CN3)(NCH)(H)2	C(CHHN)(NOO)3	N(CCHH)2(H)	110.2520	0.359	2	110.2520	0.129	2	110.2520	0.129	2	110.2520	0.129	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	N(CC[6a]HH)2(CCHH)	C(CCCH)(NCC)(H)2	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	N(CC[6a]HH)2(CCHH)	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:3:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	S-4:C-4:H-1:	C(CC[6a]C[5]C)(NHS)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	N(SC[6a]OO)(CCHH)(H)	C(CC[6a]C[5]C)(NHS)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	N(SC[6a]OO)(CCHH)(H)	111.5820	0.000	1	111.5820	0.000	1	111.5820	0.000	1	111.5820	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	2:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:	C(CCHH)(NHO)(H)2	C(CC[5,5,6,6]HH)(CHHN)(H)2	N(OC[5])(CCHH)(H)	C(CCHH)(NHO)(H)2	C(CC[5,5,6,6]HH)(CHHN)(H)2	N(OC[5])(CCHH)(H)	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[6]HH)(NC[6a]2)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	C(CC[6]HH)(NC[6a]2)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(C[6a]C[6a]2)2(CCHH)	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5]O)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5]O)(CCHH)(H)	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	3:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	N(CC[6a]N)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	N(CC[6a]N)(CCHH)(CH3)	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(H)2	112.5290	0.000	1	112.5290	0.000	1	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(H)2	114.0664	2.384	21	114.0664	5.684	21	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)(H)2	116.0790	0.000	1	116.0790	0.000	1	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(H)2	113.9020	3.223	4	113.9020	10.386	4	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(H)2	110.0195	0.930	2	110.0195	0.865	2	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(H)2	110.0700	0.000	1	110.0700	0.000	1	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	N(CCHH)(H)2	112.2253	2.823	10	112.2253	7.970	10	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(NHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(H)2	110.4320	0.000	1	110.4320	0.000	1	113.2294	7.276	41	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(H)2	108.8490	0.000	1	108.8490	0.000	1	111.9669	5.535	26	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(H)2	112.7663	1.723	3	112.7663	2.968	3	111.9669	5.535	26	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)2	112.1103	2.465	20	112.1103	6.075	20	111.9669	5.535	26	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NHHV)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NHHV)(H)2	N(CCHH)(H)2	109.7400	0.000	1	109.7400	0.000	1	111.9669	5.535	26	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(CHHN)(NHHW)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(CHHN)(NHHW)(H)2	N(CCHH)(H)2	112.0440	0.000	1	112.0440	0.000	1	111.9669	5.535	26	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(NBeHH)(CHHN)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(NBeHH)(CHHN)(H)2	N(CCHH)(H)2	109.6235	1.791	4	109.6235	3.209	4	110.9689	4.667	12	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(NCuHH)(CHHN)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(NCuHH)(CHHN)(H)2	N(CCHH)(H)2	114.2020	0.000	1	114.2020	0.000	1	110.9689	4.667	12	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(NInHH)(CHHN)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(NInHH)(CHHN)(H)2	N(CCHH)(H)2	110.3605	0.817	2	110.3605	0.667	2	110.9689	4.667	12	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(NNiCC)(CHHN)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(NNiCC)(CHHN)(H)2	N(CCHH)(H)2	111.3748	2.511	4	111.3748	6.304	4	110.9689	4.667	12	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(NHH)(H)2	C(NPtCH)(CHHN)(H)2	N(CCHH)(H)2	C(CHHN)(NHH)(H)2	C(NPtCH)(CHHN)(H)2	N(CCHH)(H)2	112.7110	0.000	1	112.7110	0.000	1	110.9689	4.667	12	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CN[5,5]HH)(NHH)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N(CCHH)(H)2	C(CN[5,5]HH)(NHH)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N(CCHH)(H)2	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	112.4373	6.899	80	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNO)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNO)(H)	113.1450	0.000	1	113.1450	0.000	1	114.6508	2.424	5	112.7670	12.316	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNS)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNS)(H)	115.7643	0.414	3	115.7643	0.171	3	114.6508	2.424	5	112.7670	12.316	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(COO)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(COO)(H)	112.8160	0.000	1	112.8160	0.000	1	114.6508	2.424	5	112.7670	12.316	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CNO)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CNO)(H)	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	112.7670	12.316	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:P-3:H-1:	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	N(CCHH)(PCC)(H)	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	N(CCHH)(PCC)(H)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	112.7670	12.316	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(NPtC)(CH3)	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(NPtC)(CH3)	112.3332	0.852	5	112.3332	0.726	5	112.3332	0.726	5	112.5445	0.849	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:3:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:P-3:C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2N)(PC[6a]2)(CCHH)	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2N)(PC[6a]2)(CCHH)	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	112.5445	0.849	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:F-1:H-1:	S-4:C-4:H-1:	C(CCFH)(NHS)(H)2	C(CC[6a]HH)(CHHN)(F)(H)	N(SC[6a]OO)(CCHH)(H)	C(CCFH)(NHS)(H)2	C(CC[6a]HH)(CHHN)(F)(H)	N(SC[6a]OO)(CCHH)(H)	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(H)	111.7664	0.967	8	111.7664	0.935	8	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[4]HH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[4]HH)(CCHH)(H)	115.7400	0.000	1	115.7400	0.000	1	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]2H)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]2H)(CCHH)(H)	106.8930	0.000	1	106.8930	0.000	1	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	114.5835	3.912	2	114.5835	15.307	2	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HP)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HP)(CCHH)(H)	111.2324	0.760	5	111.2324	0.577	5	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CC[5]CH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CC[5]CH)(CCHH)(H)	112.8530	0.000	1	112.8530	0.000	1	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCHH)(CH3)(H)	C(CCHH)(NCH)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCHH)(CH3)(H)	110.6945	0.343	2	110.6945	0.118	2	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CClHH)(CHHN)(H)2	N(CErNO)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CClHH)(CHHN)(H)2	N(CErNO)(CCHH)(H)	112.4820	0.000	1	112.4820	0.000	1	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CH3)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CH3)(H)	111.6570	0.007	2	111.6570	0.000	2	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(H)	111.4923	0.607	10	111.4923	0.368	10	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CRuCC)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	N(CRuCC)(CCHH)(H)	112.9073	7.498	3	112.9073	56.219	3	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(H)	111.8407	1.399	45	111.8407	1.956	45	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5]HH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[5]HH)(CCHH)(H)	110.1880	0.000	1	110.1880	0.000	1	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]CH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]CH)(CCHH)(H)	110.8160	0.396	2	110.8160	0.157	2	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(H)	110.9373	0.845	7	110.9373	0.714	7	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	N(CC[5]HH)(CCHH)(H)	111.4400	0.000	1	111.4400	0.000	1	111.7221	3.355	92	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:	C(CCHH)(NHP)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(PO3)(H)	C(CCHH)(NHP)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(PO3)(H)	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(SCOO)(H)	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(SCOO)(H)	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CCHH)(NHP)(H)2	C(CHHN)(CHHO)(H)2	N(PC[6a]2Pd)(CCHH)(H)	C(CCHH)(NHP)(H)2	C(CHHN)(CHHO)(H)2	N(PC[6a]2Pd)(CCHH)(H)	113.1600	0.000	1	113.1600	0.000	1	113.1600	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:Cl-1:	C(CCHH)(NClS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(Cl)	C(CCHH)(NClS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(Cl)	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[5]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[5]OO)(CCHH)(H)	111.0974	2.170	5	111.0974	4.710	5	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	111.0447	1.371	4	111.0447	1.880	4	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CC[5]2C)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CC[5]2C)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	109.1320	0.000	1	109.1320	0.000	1	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	110.3140	0.000	1	110.3140	0.000	1	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[5]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[5]OO)(CCHH)(H)	112.7600	0.000	1	112.7600	0.000	1	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)(CCHH)(H)	110.6017	0.520	4	110.6017	0.271	4	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)(H)	110.1004	1.344	7	110.1004	1.805	7	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	111.1440	0.000	1	111.1440	0.000	1	110.6719	2.042	24	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(H)	108.6957	0.524	3	108.6957	0.275	3	110.6343	2.463	100	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)	110.0320	2.524	11	110.0320	6.371	11	110.6343	2.463	100	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CC3)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CC3)(H)	110.8469	0.496	12	110.8469	0.246	12	110.6343	2.463	100	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)	110.4725	1.175	55	110.4725	1.379	55	110.6343	2.463	100	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)	113.6120	0.000	1	113.6120	0.000	1	110.6343	2.463	100	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)	109.6550	0.000	1	109.6550	0.000	1	110.6343	2.463	100	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)2(H)	111.6218	1.917	17	111.6218	3.674	17	110.6343	2.463	100	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[5,6]HH)(NHS)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CC[5,6]HH)(NHS)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	N(CCHH)2(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	N(CCHH)2(H)	109.4100	0.085	2	109.4100	0.007	2	109.2737	0.059	3	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	109.0010	0.000	1	109.0010	0.000	1	109.2737	0.059	3	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(CCHH)(CH3)(H)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(CCHH)(CH3)(H)	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(NCH)(H)2	C(NInHH)(CHHN)(H)2	N(CCHH)2(H)	C(CHHN)(NCH)(H)2	C(NInHH)(CHHN)(H)2	N(CCHH)2(H)	122.1500	0.000	1	122.1500	0.000	1	122.1500	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NNiCH)(CHHN)(H)2	N(PNiCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NNiCH)(CHHN)(H)2	N(PNiCC)(CCHH)(H)	113.5634	0.939	7	113.5634	0.882	7	114.5543	2.553	20	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NPdCH)(CHHN)(H)2	N(PPdCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NPdCH)(CHHN)(H)2	N(PPdCC)(CCHH)(H)	116.0643	1.810	3	116.0643	3.275	3	114.5543	2.553	20	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NPtCH)(CHHN)(H)2	N(PPtCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NPtCH)(CHHN)(H)2	N(PPtCC)(CCHH)(H)	114.2720	0.000	1	114.2720	0.000	1	114.5543	2.553	20	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	N(PRuCC)(CCHH)(H)	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	N(PRuCC)(CCHH)(H)	114.8531	1.661	9	114.8531	2.760	9	114.5543	2.553	20	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CHHN)(NHS)(H)2	C(NCuCC)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	C(CHHN)(NHS)(H)2	C(NCuCC)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(H)	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHP)(NCH)(H)2	C(PC[6]2B)(CHHN)(H)2	N(CCHH)2(H)	C(CHHP)(NCH)(H)2	C(PC[6]2B)(CHHN)(H)2	N(CCHH)2(H)	107.2725	0.788	2	107.2725	0.622	2	107.2725	0.622	2	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHS)(NCH)(H)2	C(SC[6a]OO)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	C(CHHS)(NCH)(H)2	C(SC[6a]OO)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)	113.8100	0.000	1	113.8100	0.000	1	113.8100	0.000	1	111.3971	4.424	251	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:O-2:	C(CCHH)(NOS)(H)2	C(CC[5,6,6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(OC)	C(CCHH)(NOS)(H)2	C(CC[5,6,6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(OC)	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	113.8747	4.962	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:	C(CHHN)(NCO)(H)2	C(CHHN)(NCHO)(H)2	N(CCHH)(CH3)(OH)	C(CHHN)(NCO)(H)2	C(CHHN)(NCHO)(H)2	N(CCHH)(CH3)(OH)	112.9030	0.000	1	112.9030	0.000	1	112.9030	0.000	1	113.8747	4.962	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:N-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:	C(CC[6,6]HH)(NC[6]O)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	C(CC[6,6]HH)(NC[6]O)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	116.4230	0.000	1	116.4230	0.000	1	116.4230	0.000	1	113.8747	4.962	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CNS)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CNS)	115.8215	3.276	2	115.8215	10.732	2	113.7849	3.078	10	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CCH)	114.5720	0.000	1	114.5720	0.000	1	113.7849	3.078	10	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(CHH)	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(CHH)	114.3340	0.000	1	114.3340	0.000	1	113.7849	3.078	10	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)2(CHH)	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)2(CHH)	111.8470	0.000	1	111.8470	0.000	1	113.7849	3.078	10	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCHH)2(CCC)	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCHH)2(CCC)	113.6625	0.001	2	113.6625	0.000	2	113.7849	3.078	10	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCC)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CCC)	112.7093	0.498	3	112.7093	0.248	3	113.7849	3.078	10	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(NNO)	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(NNO)	115.0390	0.000	1	115.0390	0.000	1	115.6842	4.959	32	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(NCC)	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(NCC)	111.9420	0.000	1	111.9420	0.000	1	115.6842	4.959	32	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(NCH)	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(NCH)	115.8305	2.187	30	115.8305	4.782	30	115.6842	4.959	32	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(SCO)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(SCO)	115.5690	0.000	1	115.5690	0.000	1	115.5690	0.000	1	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CCO)	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CCO)	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	115.0410	5.633	45	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:	C(CClCH)(NCC)(H)2	C(CHHN)(CH3)(Cl)(H)	N(CC[6a]HH)2(CCHH)	C(CClCH)(NCC)(H)2	C(CHHN)(CH3)(Cl)(H)	N(CC[6a]HH)2(CCHH)	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(CHHS)2	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(CHHS)2	114.0847	0.758	3	114.0847	0.574	3	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)(CCHH)2	113.9795	1.958	4	113.9795	3.833	4	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCOY)(CNOY)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCOY)(CNOY)	112.4100	0.000	1	112.4100	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)2	113.5939	1.333	7	113.5939	1.777	7	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHN)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHN)2	112.9640	0.235	2	112.9640	0.055	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHP)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHP)2	112.6550	0.281	2	112.6550	0.079	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHS)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHS)2	111.9610	0.000	1	111.9610	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)	113.9833	1.440	7	113.9833	2.073	7	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3	114.2491	4.260	68	114.2491	18.143	68	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]HH)2(CCHH)	115.0853	2.372	3	115.0853	5.624	3	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	117.6210	0.000	1	117.6210	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	117.1120	0.000	1	117.1120	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	113.8450	0.000	1	113.8450	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	N(CCHH)3	113.2250	0.000	1	113.2250	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)	113.0660	0.000	1	113.0660	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[4]HH)(CHHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CC[4]HH)(CHHN)(H)2	N(CCHH)3	113.7726	1.216	7	113.7726	1.479	7	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[4x5,6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CC[4x5,6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	118.7880	0.000	1	118.7880	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5,3x6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CC[5,3x6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	112.1133	0.653	4	112.1133	0.426	4	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5,6,6]HO)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CC[5,6,6]HO)(CHHN)(H)2	N(CCHH)2(CH3)	112.9140	0.411	3	112.9140	0.169	3	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	114.3395	2.545	4	114.3395	6.479	4	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)(CH3)2	112.9930	0.000	1	112.9930	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CCHH)2(CH3)	112.0295	0.524	2	112.0295	0.275	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCCH)(CCHH)2	115.4600	0.365	2	115.4600	0.133	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[5a]HO)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CC[5a]HO)(CHHN)(H)2	N(CCHH)(CH3)2	112.9927	0.194	3	112.9927	0.038	3	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)(CH3)2	114.4050	0.881	2	114.4050	0.776	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)2(CH3)	115.9690	2.313	3	115.9690	5.352	3	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CC[6a]CO)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CC[6a]CO)(CHHN)(H)2	N(CCHH)(CH3)2	111.5555	0.723	4	111.5555	0.523	4	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CGeHH)(CHHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CGeHH)(CHHN)(H)2	N(CCHH)3	111.4997	0.333	3	111.4997	0.111	3	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CH3)2	135.5540	0.000	1	135.5540	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CHHP)2	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CHHP)2	114.0217	2.301	7	114.0217	5.294	7	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CHHS)2	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CHHS)2	114.5818	3.235	5	114.5818	10.466	5	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3	114.9535	2.058	11	114.9535	4.235	11	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[5a]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[5a]HH)2(CCHH)	114.0720	0.010	2	114.0720	0.000	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]HH)2(CCHH)	111.8570	0.000	1	111.8570	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCHH)	113.6205	0.841	2	113.6205	0.707	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)2(CCHH)	114.6540	0.000	1	114.6540	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CZrNN)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	N(CZrNN)(CCHH)2	114.1082	3.126	4	114.1082	9.773	4	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)3	113.0035	1.349	6	113.0035	1.820	6	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]HH)(CCHH)2	115.0305	3.345	2	115.0305	11.191	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)(CHHS)2	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)(CHHS)2	114.1535	0.021	2	114.1535	0.000	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)3	112.8465	1.082	4	112.8465	1.171	4	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	N(CC[6a]HH)(CCHH)2	113.9445	1.234	2	113.9445	1.523	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCCH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCCH)(CCHH)2	113.2277	1.811	3	113.2277	3.279	3	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)2	113.2133	1.001	20	113.2133	1.001	20	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CH3)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CH3)	112.8312	0.733	14	112.8312	0.538	14	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CHHP)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)2(CHHP)	113.0120	0.000	1	113.0120	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CCHH)3	114.0457	1.965	35	114.0457	3.862	35	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6]HH)(CCHH)2	113.4655	0.353	2	113.4655	0.125	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6]HH)2(CCHH)	115.5590	0.000	1	115.5590	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]CH)(CCHH)(CH3)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]CH)(CCHH)(CH3)	117.6980	0.045	2	117.6980	0.002	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(CH3)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(CH3)	118.9180	0.528	2	118.9180	0.278	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)2	114.0411	1.496	17	114.0411	2.239	17	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)	111.6990	0.000	1	111.6990	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)2(CCHH)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)2(CCHH)	114.4294	2.581	13	114.4294	6.661	13	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(CH3)2	112.8155	0.940	2	112.8155	0.883	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)3	113.3460	0.000	1	113.3460	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	113.6273	1.060	16	113.6273	1.123	16	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(CH3)2	113.0475	0.342	2	113.0475	0.117	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)3	115.1110	0.000	1	115.1110	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	113.0345	1.505	2	113.0345	2.266	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CN[6a]HH)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CN[6a]HH)(CHHN)(H)2	N(CCHH)(CH3)2	113.0395	0.190	2	113.0395	0.036	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CP[6,6]HH)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CP[6,6]HH)(CHHN)(H)2	N(CCHH)(CH3)2	112.0950	0.000	1	112.0950	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CSeHH)(CHHN)(H)2	N(CCHH)(CHHP)2	C(CCHH)(NCC)(H)2	C(CSeHH)(CHHN)(H)2	N(CCHH)(CHHP)2	113.1670	0.000	1	113.1670	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CSiHH)(CHHN)(H)2	N(CCHH)3	C(CCHH)(NCC)(H)2	C(CSiHH)(CHHN)(H)2	N(CCHH)3	108.0620	0.000	1	108.0620	0.000	1	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CSnCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CSnCC)(CHHN)(H)2	N(CCHH)(CH3)2	112.8950	0.433	2	112.8950	0.187	2	113.9416	7.823	334	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:	C(CCHH)(NCP)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(PN3)	C(CCHH)(NCP)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(PN3)	112.4470	0.000	1	112.4470	0.000	1	113.5961	2.269	7	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:	C(CCHH)(NCP)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(PINN)	C(CCHH)(NCP)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(PINN)	113.7877	1.554	6	113.7877	2.415	6	113.5961	2.269	7	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	C(CCHH)(NCS)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CC[5a]HH)(SC[6a]OO)(CCHH)	113.7980	0.000	1	113.7980	0.000	1	113.0343	0.609	3	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(SC[6a]OO)(CCHH)	112.6525	0.586	2	112.6525	0.344	2	113.0343	0.609	3	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:P-4:C-4:	C(CCHH)(NPP)(H)2	C(CCHH)(CHHN)(H)2	N(PC[6a]2Cr)2(CCHH)	C(CCHH)(NPP)(H)2	C(CCHH)(CHHN)(H)2	N(PC[6a]2Cr)2(CCHH)	115.2930	0.000	1	115.2930	0.000	1	114.4908	3.202	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:P-4:C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2Fe)2(CCHH)	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2Fe)2(CCHH)	117.6900	0.000	1	117.6900	0.000	1	114.4908	3.202	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:P-4:C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2Ni)2(CCHH)	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2Ni)2(CCHH)	113.9730	0.000	1	113.9730	0.000	1	114.4908	3.202	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:P-4:C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	N(PC[6a]2Ni)(PC[6a]2C)(CCHH)	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	N(PC[6a]2Ni)(PC[6a]2C)(CCHH)	113.5105	0.790	2	113.5105	0.624	2	114.4908	3.202	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:P-4:C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	N(PC[6a]2Ni)2(CCHH)	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	N(PC[6a]2Ni)2(CCHH)	112.9680	0.000	1	112.9680	0.000	1	114.4908	3.202	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	112.0130	0.000	1	112.0130	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	111.9120	0.000	1	111.9120	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.9959	0.812	7	113.9959	0.659	7	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	113.5320	0.849	2	113.5320	0.720	2	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CCHN)(CHHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCHH)(NCS)(H)2	C(CCHN)(CHHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	111.3500	0.000	1	111.3500	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[5,5,3x6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	C(CCHH)(NCS)(H)2	C(CC[5,5,3x6]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	111.4790	0.000	1	111.4790	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	114.0020	0.000	1	114.0020	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[6a]CC)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CC[6a]CC)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	110.8685	1.447	2	110.8685	2.095	2	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CC[6a]C[5]H)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CC[6a]C[5]H)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.8960	0.000	1	113.8960	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)(CCHH)2	113.5438	1.849	10	113.5438	3.419	10	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CHHO)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)(CHHO)(H)2	N(SC[6a]OO)(CCHH)2	112.6740	0.000	1	112.6740	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CCHH)2	111.8858	1.289	8	111.8858	1.663	8	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CC[3]HH)(CCHH)	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	N(SC[6a]OO)(CC[3]HH)(CCHH)	116.0560	0.000	1	116.0560	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(NCS)(H)2	C(CN[5]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CCHH)(NCS)(H)2	C(CN[5]HH)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	113.5810	0.000	1	113.5810	0.000	1	113.0068	2.634	38	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:S-4:C-4:	C(CCHH)(NSS)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	C(CCHH)(NSS)(H)2	C(CC[6a]CH)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	113.5560	0.000	1	113.5560	0.000	1	111.3857	7.713	3	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:S-4:C-4:	C(CCHH)(NSS)(H)2	C(CC[6a]HN)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	C(CCHH)(NSS)(H)2	C(CC[6a]HN)(CHHN)(H)2	N(SC[6a]OO)2(CCHH)	112.3450	0.000	1	112.3450	0.000	1	111.3857	7.713	3	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:S-4:C-4:	C(CCHH)(NSS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)2(CCHH)	C(CCHH)(NSS)(H)2	C(CHHN)(CH3)(H)2	N(SC[6a]OO)2(CCHH)	108.2560	0.000	1	108.2560	0.000	1	111.3857	7.713	3	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:I-1:	S-4:C-4:C-4:	C(CCHI)(NCS)(H)2	C(CN[6a]HO)(CHHN)(H)(I)	N(SC[6a]OO)(CCHH)2	C(CCHI)(NCS)(H)2	C(CN[6a]HO)(CHHN)(H)(I)	N(SC[6a]OO)(CCHH)2	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(CH3)2	112.3165	5.256	2	112.3165	27.625	2	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)	111.8770	0.000	1	111.8770	0.000	1	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)	114.0400	0.000	1	114.0400	0.000	1	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)2(CCHH)	111.9707	5.916	4	111.9707	35.004	4	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)	111.9450	0.000	1	111.9450	0.000	1	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)2	112.3070	1.921	3	112.3070	3.689	3	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CC3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CC3)	114.8410	0.000	1	114.8410	0.000	1	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)	111.3265	1.567	12	111.3265	2.454	12	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)	115.7669	2.361	7	115.7669	5.575	7	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)3	111.9132	1.727	61	111.9132	2.982	61	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)	114.7190	0.000	1	114.7190	0.000	1	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2	111.7779	1.475	15	111.7779	2.175	15	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)	110.2140	0.000	1	110.2140	0.000	1	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)2	112.8370	0.000	1	112.8370	0.000	1	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(CH3)	111.9050	1.466	4	111.9050	2.149	4	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)3	112.7764	1.896	115	112.7764	3.595	115	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[5a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[5a]HH)(CCHH)2	110.1010	1.980	2	110.1010	3.920	2	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)2	112.2630	0.566	2	112.2630	0.320	2	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)2	110.6037	1.142	6	110.6037	1.303	6	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)3	112.3271	1.513	97	112.3271	2.290	97	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NH3)(H)2	N(CC[6]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(CHHN)(NH3)(H)2	N(CC[6]HH)(CCHH)2	109.7385	1.051	2	109.7385	1.106	2	112.3600	3.707	339	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[4,5]HH)(NCC)(H)2	C(C[4,5]C[4,4x5,6]C[4,5,5,6]H)(CHHN)(H)2	N(CCHH)2(CH3)	C(CC[4,5]HH)(NCC)(H)2	C(C[4,5]C[4,4x5,6]C[4,5,5,6]H)(CHHN)(H)2	N(CCHH)2(CH3)	115.6430	0.000	1	115.6430	0.000	1	115.6430	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CCHH)2(CH3)	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CCHH)2(CH3)	112.8940	0.000	1	112.8940	0.000	1	112.8940	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CC[5,6]HH)(NCS)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(CC[5,6]HH)(NCS)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CC[5]HH)(NCC)(H)2	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	115.3827	1.980	3	115.3827	3.920	3	114.8477	3.951	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	N(CCHH)(CH3)2	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	N(CCHH)(CH3)2	114.4420	3.178	2	114.4420	10.098	2	114.8477	3.951	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	N(CCHH)(CH3)2	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	N(CCHH)(CH3)2	114.0540	0.000	1	114.0540	0.000	1	114.8477	3.951	6	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:S-4:C-4:	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	N(CC[5,6]HH)(SC[6a]OO)(CCHH)	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	N(CC[5,6]HH)(SC[6a]OO)(CCHH)	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	N(SC[6a]OO)(CC[5]HH)(CCHH)	111.8222	0.380	5	111.8222	0.145	5	111.8222	0.145	5	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C(CC[6,6]HH)(NC[6]C)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)	C(CC[6,6]HH)(NC[6]C)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6]HH)(NCS)(H)2	C(C[6]C[6]2Cr)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	C(CC[6]HH)(NCS)(H)2	C(C[6]C[6]2Cr)(CHHN)(H)2	N(SC[6a]OO)(CCHH)(CH3)	110.6410	0.000	1	110.6410	0.000	1	110.6410	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	N(CCCH)(CCHH)2	114.6990	0.432	10	114.6990	0.187	10	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	N(CCHH)(CH3)2	111.3765	0.339	2	111.3765	0.115	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	N(CCHH)2(CH3)	115.1515	1.476	2	115.1515	2.178	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NCoHH)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NCoHH)(CHHN)(H)2	N(CCHH)3	112.4880	0.000	1	112.4880	0.000	1	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	N(CCHH)(CH3)2	114.1120	3.984	2	114.1120	15.871	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)	114.2280	0.000	1	114.2280	0.000	1	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	114.0915	0.035	2	114.0915	0.001	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NFeCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NFeCC)(CHHN)(H)2	N(CCHH)(CH3)2	110.0240	0.000	1	110.0240	0.000	1	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NGaCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NGaCC)(CHHN)(H)2	N(CCHH)(CH3)2	111.4970	0.000	1	111.4970	0.000	1	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NGaCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)	C(CHHN)(NCC)(H)2	C(NGaCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)	108.9100	0.066	3	108.9100	0.004	3	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NGeCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NGeCC)(CHHN)(H)2	N(CCHH)(CH3)2	109.3710	0.311	2	109.3710	0.097	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NGeCC)(CHHN)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(NGeCC)(CHHN)(H)2	N(CCHH)2(CH3)	109.5250	0.798	2	109.5250	0.636	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NInCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NInCC)(CHHN)(H)2	N(CCHH)(CH3)2	112.8785	1.867	2	112.8785	3.487	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NIn[5]CC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NIn[5]CC)(CHHN)(H)2	N(CCHH)(CH3)2	111.5820	0.232	2	111.5820	0.054	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NIrCH)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CHHN)(NCC)(H)2	C(NIrCH)(CHHN)(H)2	N(CCCH)(CCHH)2	111.3962	1.470	6	111.3962	2.160	6	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	N(CCHH)(CH3)2	113.9310	2.260	2	113.9310	5.107	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NMgCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NMgCC)(CHHN)(H)2	N(CCHH)(CH3)2	112.7850	2.875	2	112.7850	8.266	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NNiCH)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NNiCH)(CHHN)(H)2	N(CCHH)3	114.4270	2.773	2	114.4270	7.691	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NPdCC)(CHHN)(H)2	N(CCHH)2(CH3)	C(CHHN)(NCC)(H)2	C(NPdCC)(CHHN)(H)2	N(CCHH)2(CH3)	114.8765	1.356	2	114.8765	1.837	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NZnCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHN)(NCC)(H)2	C(NZnCC)(CHHN)(H)2	N(CCHH)(CH3)2	114.3920	2.524	4	114.3920	6.372	4	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NZnCH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHN)(NCC)(H)2	C(NZnCH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	112.1835	1.998	2	112.1835	3.990	2	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(NCC)(H)2	C(NZnHH)(CHHN)(H)2	N(CCHH)3	C(CHHN)(NCC)(H)2	C(NZnHH)(CHHN)(H)2	N(CCHH)3	113.2720	0.000	1	113.2720	0.000	1	112.8473	5.341	54	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(NCoCC)(CHHN)(H)2	N(PC[6a]2Pt)(CCHH)(CH3)	C(CHHN)(NCP)(H)2	C(NCoCC)(CHHN)(H)2	N(PC[6a]2Pt)(CCHH)(CH3)	112.1820	0.000	1	112.1820	0.000	1	114.4395	10.193	2	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:C-4:	C(CHHN)(NCP)(H)2	C(NPtCC)(CHHN)(H)2	N(PC[6a]2Pt)(CCHH)(CH3)	C(CHHN)(NCP)(H)2	C(NPtCC)(CHHN)(H)2	N(PC[6a]2Pt)(CCHH)(CH3)	116.6970	0.000	1	116.6970	0.000	1	114.4395	10.193	2	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CHHN)(NCS)(H)2	C(NNiCC)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	C(CHHN)(NCS)(H)2	C(NNiCC)(CHHN)(H)2	N(SC[6a]OO)(CCHH)2	114.9520	2.452	2	114.9520	6.014	2	114.9520	6.014	2	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N(CC[5]HH)(CCHH)2	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N(CC[5]HH)(CCHH)2	107.7570	0.185	2	107.7570	0.034	2	110.2110	6.073	5	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	111.3520	1.648	2	111.3520	2.714	2	110.2110	6.073	5	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	N(CCHH)3	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	N(CCHH)3	112.8370	0.000	1	112.8370	0.000	1	110.2110	6.073	5	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5,6]HH)(NCC)(H)2	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CN[5,6]HH)(NCC)(H)2	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	N(CCHH)3	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	N(CCHH)3	111.6320	0.778	4	111.6320	0.605	4	111.3526	1.773	8	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5]C[5]C)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5]C[5]C)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	112.6485	0.134	2	112.6485	0.018	2	111.3526	1.773	8	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]Si[5]C[5]C)(CHHN)(H)2	N(CCHH)2(CH3)	C(CN[5]HH)(NCC)(H)2	C(N[5]Si[5]C[5]C)(CHHN)(H)2	N(CCHH)2(CH3)	109.4980	0.164	2	109.4980	0.027	2	111.3526	1.773	8	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N(CCHH)3	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N(CCHH)3	111.5870	0.000	1	111.5870	0.000	1	111.4226	1.233	10	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	N(CCHH)3	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	N(CCHH)3	111.0768	0.318	5	111.0768	0.101	5	111.4226	1.233	10	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	N(CCHH)(CH3)2	C(CN[6]HH)(NCC)(H)2	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	N(CCHH)(CH3)2	110.6705	0.288	2	110.6705	0.083	2	111.4226	1.233	10	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CN[6]HH)(NCC)(H)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	N(CCCH)(CCHH)2	112.9570	2.036	2	112.9570	4.147	2	111.4226	1.233	10	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(NCC)(H)2	C(OLi2Sn)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHO)(NCC)(H)2	C(OLi2Sn)(CHHN)(H)2	N(CCHH)(CH3)2	113.4890	0.000	1	113.4890	0.000	1	113.4890	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(NCC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(CCCH)(CCHH)2	C(CHHP)(NCC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(CCCH)(CCHH)2	114.0520	0.594	2	114.0520	0.353	2	113.9062	2.267	11	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(NCC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	C(CHHP)(NCC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2	113.8697	0.534	6	113.8697	0.285	6	113.9062	2.267	11	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(NCC)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	N(CCHH)(CHHS)2	C(CHHP)(NCC)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	N(CCHH)(CHHS)2	117.5550	0.000	1	117.5550	0.000	1	113.9062	2.267	11	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(NCC)(H)2	C(PPtCC)(CHHN)(H)2	N(CCHH)(CH3)2	C(CHHP)(NCC)(H)2	C(PPtCC)(CHHN)(H)2	N(CCHH)(CH3)2	112.0455	0.779	2	112.0455	0.606	2	113.9062	2.267	11	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	Si-4:C-4:C-4:	C(CHHP)(NSiC)(H)2	C(PGaCC)(CHHN)(H)2	N(SiCCN)(CCHH)2	C(CHHP)(NSiC)(H)2	C(PGaCC)(CHHN)(H)2	N(SiCCN)(CCHH)2	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	113.0838	5.953	844	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:1:1:	5:4:4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	B-5:C-4:C-4:	C(CHHP)(NBC)(H)2	C(PC[6]2B)(CHHN)(H)2	N(BFeHHN)(CCHH)2	C(CHHP)(NBC)(H)2	C(PC[6]2B)(CHHN)(H)2	N(BFeHHN)(CCHH)2	113.3530	2.811	2	113.3530	7.904	2	113.3530	7.904	2	113.3530	7.904	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCCH)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCCH)(CCHH)(H)	114.9260	0.000	1	114.9260	0.000	1	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)	110.3670	0.850	2	110.3670	0.722	2	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CC[5]HO)(CHHN)(OH)(H)	N(CC[5]CH)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CC[5]HO)(CHHN)(OH)(H)	N(CC[5]CH)(CCHH)(H)	114.7160	0.000	1	114.7160	0.000	1	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)	C(CCHO)(NCH)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)	111.3990	0.000	1	111.3990	0.000	1	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(H)	111.9850	0.000	1	111.9850	0.000	1	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCCH)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCCH)(CCHH)(H)	110.8045	0.855	2	110.8045	0.731	2	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCHH)2(H)	C(CCHO)(NCH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCHH)2(H)	111.8545	0.033	2	111.8545	0.001	2	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCCH)(CCHH)(H)	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCCH)(CCHH)(H)	112.7550	0.000	1	112.7550	0.000	1	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)(CC3)(H)	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)(CC3)(H)	110.4319	1.025	11	110.4319	1.050	11	111.2084	2.396	22	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CCHO)(NHS)(H)2	C(CClHH)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(H)	C(CCHO)(NHS)(H)2	C(CClHH)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(H)	112.4610	0.000	1	112.4610	0.000	1	111.1095	3.653	2	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CCHO)(NHS)(H)2	C(CHHN)2(OH)(H)	N(SC[6a]OO)(CCHH)(H)	C(CCHO)(NHS)(H)2	C(CHHN)2(OH)(H)	N(SC[6a]OO)(CCHH)(H)	109.7580	0.000	1	109.7580	0.000	1	111.1095	3.653	2	111.2001	2.348	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:	C(CCHN)(NCC)(H)2	C(CCHH)(CHHN)(NS)(H)	N(CCHH)2(CH3)	C(CCHN)(NCC)(H)2	C(CCHH)(CHHN)(NS)(H)	N(CCHH)2(CH3)	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:H-1:	S-4:C-4:C-4:	C(CCHN)(NCS)(H)2	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	N(SC[6a]OO)(CCHH)2	C(CCHN)(NCS)(H)2	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	N(SC[6a]OO)(CCHH)2	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CCFH)(CHHN)(OC)(H)	N(CC[6a]HH)2(CCHH)	C(CCHO)(NCC)(H)2	C(CCFH)(CHHN)(OC)(H)	N(CC[6a]HH)2(CCHH)	112.0105	0.171	4	112.0105	0.029	4	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CCHH)(CHHN)(OC)(H)	N(CCHH)(CH3)2	C(CCHO)(NCC)(H)2	C(CCHH)(CHHN)(OC)(H)	N(CCHH)(CH3)2	117.7910	6.918	2	117.7910	47.863	2	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCHH)3	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCHH)3	113.5532	1.283	4	113.5532	1.645	4	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CC[5,6,6]HH)(CHHN)(OH)(H)	N(CCHH)2(CH3)	C(CCHO)(NCC)(H)2	C(CC[5,6,6]HH)(CHHN)(OH)(H)	N(CCHH)2(CH3)	113.0830	0.000	1	113.0830	0.000	1	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CC[6a]C[4]O)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)2	C(CCHO)(NCC)(H)2	C(CC[6a]C[4]O)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)2	110.5850	0.000	1	110.5850	0.000	1	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OGa)(H)	N(CCHH)(CH3)2	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OGa)(H)	N(CCHH)(CH3)2	109.4408	0.258	4	109.4408	0.067	4	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)3	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)3	114.0303	4.313	3	114.0303	18.606	3	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OP)(H)	N(CCHH)3	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OP)(H)	N(CCHH)3	110.8913	4.220	3	110.8913	17.808	3	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OSi)(H)	N(CCHH)3	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OSi)(H)	N(CCHH)3	109.6952	2.791	5	109.6952	7.789	5	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CC[6a]HH)2(CCHH)	C(CCHO)(NCC)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CC[6a]HH)2(CCHH)	112.8310	0.000	1	112.8310	0.000	1	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CHHS)(OGa)(H)	N(CCHH)3	C(CCHO)(NCC)(H)2	C(CHHN)(CHHS)(OGa)(H)	N(CCHH)3	111.2847	2.942	3	111.2847	8.655	3	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(CC3)	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(CC3)	111.2830	0.000	1	111.2830	0.000	1	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	N(CC[6a]HH)2(CCHH)	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	N(CC[6a]HH)2(CCHH)	111.5390	0.965	4	111.5390	0.932	4	111.8509	9.391	36	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:C-4:	C(CCHO)(NCS)(H)2	C(CCCH)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(CH3)	C(CCHO)(NCS)(H)2	C(CCCH)(CHHN)(OC)(H)	N(SC[6a]OO)(CCHH)(CH3)	114.1410	0.000	1	114.1410	0.000	1	113.5897	0.231	3	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:C-4:	C(CCHO)(NCS)(H)2	C(CCHN)(CHHN)(OH)(H)	N(SC[6a]OO)(CCHH)2	C(CCHO)(NCS)(H)2	C(CCHN)(CHHN)(OH)(H)	N(SC[6a]OO)(CCHH)2	113.3140	0.072	2	113.3140	0.005	2	113.5897	0.231	3	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[5,6]HO)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(CH3)	C(CC[5,6]HO)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(CH3)	116.3390	2.308	4	116.3390	5.328	4	116.3390	5.328	4	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:2:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[5]HO)(NCC)(H)2	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	N(CCCH)2(CCHH)	C(CC[5]HO)(NCC)(H)2	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	N(CCCH)2(CCHH)	111.0230	1.059	2	111.0230	1.122	2	111.0230	1.122	2	112.3500	9.433	47	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CN[5]O)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CN[5]O)(CCHH)(H)	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCHH)(CNO)(H)	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	112.1620	0.056	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:	C(CCHN)(NHN)(H)2	C(CCHN)(CHHN)(NHN)(H)	N(CCHH)(NOO)(H)	C(CCHN)(NHN)(H)2	C(CCHN)(CHHN)(NHN)(H)	N(CCHH)(NOO)(H)	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.1620	0.056	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:	C(CCCH)(NCH)(H)2	C(CCHH)(CHHN)(CNO)(H)	N(CCHH)2(H)	C(CCCH)(NCH)(H)2	C(CCHH)(CHHN)(CNO)(H)	N(CCHH)2(H)	110.8510	0.000	1	110.8510	0.000	1	110.0270	0.540	3	112.5763	6.657	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:	C(CCCH)(NCH)(H)2	C(CHHN)(CF3)(CNO)(H)	N(CC[6a]CH)(CCHH)(H)	C(CCCH)(NCH)(H)2	C(CHHN)(CF3)(CNO)(H)	N(CC[6a]CH)(CCHH)(H)	109.6150	0.249	2	109.6150	0.062	2	110.0270	0.540	3	112.5763	6.657	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	S-4:C-4:H-1:	C(CCCH)(NHS)(H)2	C(CCHH)(CHHN)(CCN)(H)	N(SC[6a]OO)(CCHH)(H)	C(CCCH)(NHS)(H)2	C(CCHH)(CHHN)(CCN)(H)	N(SC[6a]OO)(CCHH)(H)	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	112.5763	6.657	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCCH)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCCH)(CCHH)(H)	112.0150	0.518	2	112.0150	0.268	2	113.9386	3.890	8	112.5763	6.657	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCCH)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCCH)(CCHH)(H)	115.0506	1.616	5	115.0506	2.612	5	113.9386	3.890	8	112.5763	6.657	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:	C(CCHN)(NCH)(H)2	C(CHHN)(CHHO)(NCH)(H)	N(CCCH)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(CHHN)(CHHO)(NCH)(H)	N(CCCH)(CCHH)(H)	112.2260	0.000	1	112.2260	0.000	1	113.9386	3.890	8	112.5763	6.657	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(NCC)(H)2	C(CHHN)(CC3)(NCH)(H)	N(CCHH)3	C(CCHN)(NCC)(H)2	C(CHHN)(CC3)(NCH)(H)	N(CCHH)3	111.0970	0.000	1	111.0970	0.000	1	114.0181	2.332	7	113.6377	2.465	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(NCC)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)2(CC3)	C(CCHN)(NCC)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)2(CC3)	116.1850	0.000	1	116.1850	0.000	1	114.0181	2.332	7	113.6377	2.465	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(NCC)(H)2	C(CHHN)(CHHO)(NCC)(H)	N(CCCH)2(CCHH)	C(CCHN)(NCC)(H)2	C(CHHN)(CHHO)(NCC)(H)	N(CCCH)2(CCHH)	114.2790	0.000	1	114.2790	0.000	1	114.0181	2.332	7	113.6377	2.465	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(NCC)(H)2	C(CHHN)2(NCH)(H)	N(CC[6a]HH)(CCHH)2	C(CCHN)(NCC)(H)2	C(CHHN)2(NCH)(H)	N(CC[6a]HH)(CCHH)2	114.1415	0.460	4	114.1415	0.212	4	114.0181	2.332	7	113.6377	2.465	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	S-4:C-4:C-4:	C(CCHN)(NCS)(H)2	C(CCCH)(CHHN)(NCS)(H)	N(SC[6a]OO)(CCHH)2	C(CCHN)(NCS)(H)2	C(CCCH)(CHHN)(NCS)(H)	N(SC[6a]OO)(CCHH)2	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	113.6377	2.465	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:S-4:C-3:H-1:	C-4:C-4:C-4:	C(CCHS)(NCC)(H)2	C(CHHN)(SCOO)(CCH)(H)	N(CC[6a]HH)2(CCHH)	C(CCHS)(NCC)(H)2	C(CHHN)(SCOO)(CCH)(H)	N(CC[6a]HH)2(CCHH)	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	113.6377	2.465	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:3:2:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:O-2:	S-4:C-4:H-1:	C(CCCO)(NHS)(H)2	C(CHHN)(CH3)(CCH)(OH)	N(SC[6a]OO)(CCHH)(H)	C(CCCO)(NHS)(H)2	C(CHHN)(CH3)(CCH)(OH)	N(SC[6a]OO)(CCHH)(H)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:	C(CCHN)(NHH)(H)2	C(CCHN)(CHHN)(NH3)(H)	N(CCHH)(H)2	C(CCHN)(NHH)(H)2	C(CCHN)(CHHN)(NH3)(H)	N(CCHH)(H)2	112.5620	0.000	1	112.5620	0.000	1	112.0170	0.594	2	112.1527	0.352	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:	C(CCHN)(NHH)(H)2	C(CHHN)(CH3)(NH3)(H)	N(CCHH)(H)2	C(CCHN)(NHH)(H)2	C(CHHN)(CH3)(NH3)(H)	N(CCHH)(H)2	111.4720	0.000	1	111.4720	0.000	1	112.0170	0.594	2	112.1527	0.352	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:1:1:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:	C(CC[6]CH)(NHH)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	N(CCHH)(H)2	C(CC[6]CH)(NHH)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	N(CCHH)(H)2	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.1527	0.352	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCCH)(NCH)(H)2	C(CC[6a]HO)(CHHN)(CH3)(H)	N(CC[6a]HH)(CCHH)(H)	C(CCCH)(NCH)(H)2	C(CC[6a]HO)(CHHN)(CH3)(H)	N(CC[6a]HH)(CCHH)(H)	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	112.0735	0.599	13	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(NHS)(H)2	C(CHHN)(CH3)2(H)	N(SC[6a]OO)(CCHH)(H)	C(CCCH)(NHS)(H)2	C(CHHN)(CH3)2(H)	N(SC[6a]OO)(CCHH)(H)	112.4110	0.772	6	112.4110	0.596	6	112.4110	0.596	6	112.0735	0.599	13	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:	C(CCHN)(NCH)(H)2	C(CHHN)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)	C(CCHN)(NCH)(H)2	C(CHHN)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)	111.7557	0.762	6	111.7557	0.581	6	111.7557	0.581	6	112.0735	0.599	13	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:	C(CCCH)(NCN)(H)2	C(CHHN)(CH3)2(H)	N(CCCH)(CCHH)(NCH)	C(CCCH)(NCN)(H)2	C(CHHN)(CH3)2(H)	N(CCCH)(CCHH)(NCH)	114.3375	0.286	2	114.3375	0.082	2	113.3332	1.880	6	113.3332	1.880	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:3:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:	C(CCCH)(NCN)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(NCH)	C(CCCH)(NCN)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(NCH)	112.8310	1.448	4	112.8310	2.097	4	113.3332	1.880	6	113.3332	1.880	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(CCCH)(NCC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	114.4440	0.000	1	114.4440	0.000	1	113.7072	0.428	5	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	N(CCHH)(CH3)2	C(CCCH)(NCC)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	N(CCHH)(CH3)2	113.4745	0.824	2	113.4745	0.679	2	113.7072	0.428	5	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)3	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)3	113.5715	0.586	2	113.5715	0.344	2	113.7072	0.428	5	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PHNN)	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PHNN)	114.2020	0.000	1	114.2020	0.000	1	115.7078	4.946	6	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PINN)	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PINN)	113.5865	1.317	2	113.5865	1.735	2	115.7078	4.946	6	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(PN3)	117.6240	0.596	3	117.6240	0.355	3	115.7078	4.946	6	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	P-4:S-4:C-4:	C(CCCH)(NPS)(H)2	C(CHHN)(CH3)2(H)	N(PC[6a]2Co)(SC[6a]CoO)(CCHH)	C(CCCH)(NPS)(H)2	C(CHHN)(CH3)2(H)	N(PC[6a]2Co)(SC[6a]CoO)(CCHH)	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-4:	C(CCCH)(NCS)(H)2	C(CCHO)(CHHN)(CH3)(H)	N(SC[6a]OO)(CCHH)2	C(CCCH)(NCS)(H)2	C(CCHO)(CHHN)(CH3)(H)	N(SC[6a]OO)(CCHH)2	115.8300	0.000	1	115.8300	0.000	1	113.2332	2.163	5	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-4:	C(CCCH)(NCS)(H)2	C(CHHN)(CH3)2(H)	N(SC[6a]OO)(CCHH)2	C(CCCH)(NCS)(H)2	C(CHHN)(CH3)2(H)	N(SC[6a]OO)(CCHH)2	112.5840	0.273	4	112.5840	0.075	4	113.2332	2.163	5	114.4570	3.773	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NC)	N(CCHH)2(H)	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NC)	N(CCHH)2(H)	113.0685	0.070	2	113.0685	0.005	2	113.0685	0.005	2	111.9719	1.748	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:	C(CCCO)(NCH)(H)2	C(CHHN)(CH3)2(OH)	N(CCHH)(CC3)(H)	C(CCCO)(NCH)(H)2	C(CHHN)(CH3)2(OH)	N(CCHH)(CC3)(H)	112.5380	0.000	1	112.5380	0.000	1	111.5332	1.779	5	111.9719	1.748	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:	C(CCCO)(NCH)(H)2	C(CHHN)3(OSn)	N(CCHH)(CC3)(H)	C(CCCO)(NCH)(H)2	C(CHHN)3(OSn)	N(CCHH)(CC3)(H)	111.2820	1.397	4	111.2820	1.951	4	111.5332	1.779	5	111.9719	1.748	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CF3)2(OH)	N(CCHH)3	C(CCCO)(NCC)(H)2	C(CHHN)(CF3)2(OH)	N(CCHH)3	109.1103	1.050	3	109.1103	1.102	3	114.7936	12.424	21	114.9616	9.667	27	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OGe)	N(CCHH)(CH3)2	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OGe)	N(CCHH)(CH3)2	110.6440	0.223	2	110.6440	0.050	2	114.7936	12.424	21	114.9616	9.667	27	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	N(CCHH)2(CC3)	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	N(CCHH)2(CC3)	118.0353	1.109	9	118.0353	1.230	9	114.7936	12.424	21	114.9616	9.667	27	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	N(CCHH)2(CH3)	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	N(CCHH)2(CH3)	114.0745	1.248	4	114.0745	1.558	4	114.7936	12.424	21	114.9616	9.667	27	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	N(CC[6a]CH)(CCHH)2	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	N(CC[6a]CH)(CCHH)2	114.4767	1.307	3	114.4767	1.709	3	114.7936	12.424	21	114.9616	9.667	27	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:C-4:C-4:	C(CCCS)(NCC)(H)2	C(CHHN)(CH3)2(SGe)	N(CCHH)(CH3)2	C(CCCS)(NCC)(H)2	C(CHHN)(CH3)2(SGe)	N(CCHH)(CH3)2	115.5497	0.198	6	115.5497	0.039	6	115.5497	0.039	6	114.9616	9.667	27	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:3:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-3:	S-4:C-4:H-1:	C(CC3)(NHS)(H)2	C(CHHN)(CH3)2(CNO)	N(SC[6a]OO)(CCHH)(H)	C(CC3)(NHS)(H)2	C(CHHN)(CH3)2(CNO)	N(SC[6a]OO)(CCHH)(H)	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	112.1196	1.012	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:3:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NCH)	N(CCHH)2(H)	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NCH)	N(CCHH)2(H)	112.2557	0.438	3	112.2557	0.192	3	112.5025	0.371	4	112.1196	1.012	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:3:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NHH)	N(CCHH)2(H)	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NHH)	N(CCHH)2(H)	113.2430	0.000	1	113.2430	0.000	1	112.5025	0.371	4	112.1196	1.012	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:3:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:	C(CCCN)(NCC)(H)2	C(CHHN)2(CH3)(NOO)	N(CC[6a]HH)(CCHH)2	C(CCCN)(NCC)(H)2	C(CHHN)2(CH3)(NOO)	N(CC[6a]HH)(CCHH)2	111.9650	1.008	2	111.9650	1.017	2	111.9650	1.017	2	114.0864	3.797	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:3:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-3:	C-4:C-4:C-4:	C(CCCO)(NCC)(H)2	C(CHHN)3(OZn2)	N(CCHH)(CH3)2	C(CCCO)(NCC)(H)2	C(CHHN)3(OZn2)	N(CCHH)(CH3)2	114.6167	1.769	8	114.6167	3.129	8	114.6167	3.129	8	114.0864	3.797	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:1:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:	C(CC3)(NHH)(H)2	C(CHHN)(CHHS)2(CH3)	N(CCHH)(H)2	C(CC3)(NHH)(H)2	C(CHHN)(CHHS)2(CH3)	N(CCHH)(H)2	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:3:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:	C(CC3)(NHN)(H)2	C(CHHN)4	N(CCHH)(NOO)(H)	C(CC3)(NHN)(H)2	C(CHHN)4	N(CCHH)(NOO)(H)	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:	C(CC3)(NCH)(H)2	C(CHHN)(CH3)3	N(CC[5]HH)(CCHH)(H)	C(CC3)(NCH)(H)2	C(CHHN)(CH3)3	N(CC[5]HH)(CCHH)(H)	114.9860	0.147	2	114.9860	0.022	2	114.1333	2.452	12	113.6116	2.773	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CCHH)2(H)	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CCHH)2(H)	112.1600	0.000	1	112.1600	0.000	1	114.1333	2.452	12	113.6116	2.773	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CC[5]HH)(CCHH)(H)	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CC[5]HH)(CCHH)(H)	113.7690	0.000	1	113.7690	0.000	1	114.1333	2.452	12	113.6116	2.773	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CC[6a]CH)(CCHH)(H)	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	N(CC[6a]CH)(CCHH)(H)	114.6315	0.036	2	114.6315	0.001	2	114.1333	2.452	12	113.6116	2.773	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:	C(CC3)(NCH)(H)2	C(CHHN)3(CH3)	N(CCHH)2(H)	C(CC3)(NCH)(H)2	C(CHHN)3(CH3)	N(CCHH)2(H)	114.0727	2.047	6	114.0727	4.191	6	114.1333	2.452	12	113.6116	2.773	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:	C(CCCN)(NCH)(H)2	C(CCHH)(CHHN)2(NH3)	N(CCHH)2(H)	C(CCCN)(NCH)(H)2	C(CCHH)(CHHN)2(NH3)	N(CCHH)2(H)	111.4310	0.096	2	111.4310	0.009	2	111.4310	0.009	2	113.6116	2.773	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:N-3:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	S-4:C-4:H-1:	C(CC[3]CC)(NHS)(H)2	C(C[3]C[3]2H)(CHHN)(CH3)2	N(SC[6a]OO)(CCHH)(H)	C(CC[3]CC)(NHS)(H)2	C(C[3]C[3]2H)(CHHN)(CH3)2	N(SC[6a]OO)(CCHH)(H)	112.6615	0.158	2	112.6615	0.025	2	112.6615	0.025	2	113.6116	2.773	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(CC3)(NCC)(H)2	C(CHHN)3(CH3)	N(CC[6a]HH)(CCHH)2	C(CC3)(NCC)(H)2	C(CHHN)3(CH3)	N(CC[6a]HH)(CCHH)2	112.1170	0.000	1	112.1170	0.000	1	115.9582	9.385	4	114.1431	12.594	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(CC3)(NCC)(H)2	C(CN[4]HH)(CHHN)(CH3)2	N(CCHH)(CH3)2	C(CC3)(NCC)(H)2	C(CN[4]HH)(CHHN)(CH3)2	N(CCHH)(CH3)2	117.2387	2.059	3	117.2387	4.240	3	115.9582	9.385	4	114.1431	12.594	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:C-4:	C(CC3)(NCS)(H)2	C(CCHH)(CHHN)(CH3)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(CC3)(NCS)(H)2	C(CCHH)(CHHN)(CH3)2	N(CC[6a]CH)(SC[6a]OO)(CCHH)	114.8540	0.000	1	114.8540	0.000	1	114.8540	0.000	1	114.1431	12.594	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	4:4:4:4:	4:4:4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(CN[5]CC)(NCC)(H)2	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	N(CCCH)(CCHH)2	C(CN[5]CC)(NCC)(H)2	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	N(CCCH)(CCHH)2	110.1575	1.399	2	110.1575	1.958	2	110.1575	1.958	2	114.1431	12.594	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	5:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(NCC)(H)2	C(CCeHHN)(CHHN)(H)2	N(CCHH)(CH3)2	C(CCHH)(NCC)(H)2	C(CCeHHN)(CHHN)(H)2	N(CCHH)(CH3)2	114.0305	0.206	4	114.0305	0.043	4	114.0305	0.043	4	113.5644	1.118	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	5:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	N(CCHH)(CH3)2	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	N(CCHH)(CH3)2	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	113.5644	1.118	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:1:1:	6:4:1:1:	4:4:4:	C-4:N-3:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	N(CCHH)(CH3)2	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	N(CCHH)(CH3)2	111.4660	0.728	2	111.4660	0.530	2	111.4660	0.530	2	111.4660	0.530	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:2:1:	3:4:4:1:	4:3:1:	C-4:N-3:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-3:H-1:	C(CC[6a]CH)(NHS)(CN)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	N(CCCH)(SCO)(H)	C(CC[6a]CH)(NHS)(CN)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	N(CCCH)(SCO)(H)	110.1873	0.867	3	110.1873	0.752	3	110.1873	0.752	3	110.1873	0.752	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:2:1:	4:3:1:1:	4:3:1:	C-4:N-3:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	N(CCCH)(CNO)(H)	113.3550	0.000	1	113.3550	0.000	1	113.3550	0.000	1	110.2875	18.819	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:2:1:	4:3:1:1:	4:3:1:	C-4:N-3:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(NHS)(CC)(H)	C(CCHN)(COO)(H)2	N(CCCH)(SCO)(H)	C(CCHH)(NHS)(CC)(H)	C(CCHN)(COO)(H)2	N(CCCH)(SCO)(H)	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	110.2875	18.819	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:2:1:	4:3:1:1:	4:4:4:	C-4:N-3:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:S-4:C-4:	C(CCHI)(NCS)(OC)(H)	C(CHNO)(COO)(H)(I)	N(CC[6a]HH)(SC[6a]OO)(CCHO)	C(CCHI)(NCS)(OC)(H)	C(CHNO)(COO)(H)(I)	N(CC[6a]HH)(SC[6a]OO)(CCHO)	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:2:1:	4:3:2:1:	4:4:4:	C-4:N-3:C-2:H-1:	C-4:N-3:C-2:H-1:	C-4:C-4:C-4:	C(CCHN)(NCC)(CN)(H)	C(CCHN)(NCC)(CN)(H)	N(CCCH)(CCHH)2	C(CCHN)(NCC)(CN)(H)	C(CCHN)(NCC)(CN)(H)	N(CCCH)(CCHH)2	112.2290	0.796	3	112.2290	0.634	3	112.2290	0.634	3	112.2290	0.634	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:2:1:	4:4:1:1:	4:3:1:	C-4:N-3:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	110.1835	0.111	2	110.1835	0.012	2	110.1835	0.012	2	110.1835	0.012	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:2:1:	4:4:4:4:	4:3:1:	C-4:N-3:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(CC3)(NHS)(CN)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	C(CC3)(NHS)(CN)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	112.3000	0.000	1	112.3000	0.000	1	112.3000	0.000	1	112.3000	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	2:4:4:2:	4:4:1:	C-4:C-3:N-3:H-1:	O-2:C-4:C-4:C-2:	S-4:C-4:H-1:	C(CCCO)(COO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(COO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:	C(CC[6a]2H)(COO)(NHH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(H)2	C(CC[6a]2H)(COO)(NHH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(H)2	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:	C(CC[5a]C[6a]H)(COO)(NHN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(NCH)(H)	C(CC[5a]C[6a]H)(COO)(NHN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(NCH)(H)	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:3:4:1:	4:4:1:	C-4:C[6a]-3:N-3:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:P-4:H-1:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)(H)	113.2322	1.197	4	113.2322	1.433	4	113.2322	1.433	4	113.2322	1.433	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[5a]HH)(CNO)(NHH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(H)2	C(CC[5a]HH)(CNO)(NHH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(H)2	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	110.4466	6.515	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CNO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	C(CC[6a]HH)(CNO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	110.3997	2.201	18	110.3997	4.843	18	110.1706	4.991	22	110.4466	6.515	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	112.6230	0.000	1	112.6230	0.000	1	110.1706	4.991	22	110.4466	6.515	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	C(CC[6a]HH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	107.9790	0.742	3	107.9790	0.551	3	110.1706	4.991	22	110.4466	6.515	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:N-3:H-1:	C(CC[6a]ClH)(COO)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(CCCH)(NCH)(H)	C(CC[6a]ClH)(COO)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(CCCH)(NCH)(H)	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	110.3148	5.403	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	113.1230	0.000	1	113.1230	0.000	1	111.2037	3.364	3	110.3148	5.403	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)(H)	110.2440	1.096	2	110.2440	1.201	2	111.2037	3.364	3	110.3148	5.403	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(SCOO)(H)	C(CCHH)(COO)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(SCOO)(H)	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(CCHH)(H)	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(CCHH)(H)	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[5]HH)(COO)(NHS)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[5]HH)(COO)(NHS)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]CH)(CCCH)(H)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]CH)(CCCH)(H)	109.6065	0.439	2	109.6065	0.193	2	109.6065	0.193	2	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[5a]HH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[5a]HH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)2(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)2(H)	109.2530	0.000	1	109.2530	0.000	1	108.7694	1.681	22	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(H)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(H)	108.2714	1.254	14	108.2714	1.574	14	108.7694	1.681	22	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]HH)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]HH)(CCCH)(H)	109.4290	2.184	2	109.4290	4.768	2	108.7694	1.681	22	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]3)(CCCH)(H)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]3)(CCCH)(H)	109.8030	0.203	5	109.8030	0.041	5	108.7694	1.681	22	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CC[6a]HH)(CNO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCOO)(H)	C(CC[6a]HH)(CNO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCOO)(H)	108.7040	0.092	2	108.7040	0.008	2	108.7040	0.008	2	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CNO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CNO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	111.0240	0.000	1	111.0240	0.000	1	110.7871	0.476	7	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(COO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(COO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	110.7477	0.747	6	110.7477	0.559	6	110.7871	0.476	7	109.4218	2.015	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:S-3:	C(CC[6a]HH)(CNO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(SCO)	C(CC[6a]HH)(CNO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(SCO)	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:C-4:C-4:	C(CC[6a]FH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CC[6a]FH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	110.5925	0.717	4	110.5925	0.514	4	110.6014	0.386	5	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:C-4:C-4:	C(CC[6a]FH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(CC[6a]HH)2(CCCH)	C(CC[6a]FH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	N(CC[6a]HH)2(CCCH)	110.6370	0.000	1	110.6370	0.000	1	110.6014	0.386	5	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	116.9080	0.000	1	116.9080	0.000	1	112.4121	4.220	12	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)2	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)2	112.3420	0.000	1	112.3420	0.000	1	112.4121	4.220	12	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CHHN)2	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CHHN)2	111.1200	1.381	5	111.1200	1.907	5	112.4121	4.220	12	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CHHS)2	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CHHS)2	111.1610	0.000	1	111.1610	0.000	1	112.4121	4.220	12	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	113.2335	1.409	4	113.2335	1.986	4	112.4121	4.220	12	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:S-4:	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(SCOO)	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(SCOO)	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HH)(CNO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]HH)(CNO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:1:1:	4:4:4:	C-4:N-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:S-4:C-4:	C(CC[5a]HH)(NC[5]S)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(C[5]C[5]2H)(SC[6a]OO)(CCCH)	C(CC[5a]HH)(NC[5]S)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(C[5]C[5]2H)(SC[6a]OO)(CCCH)	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	111.8769	3.282	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:	C(CC[6a]HO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)2	C(CC[6a]HO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)2	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	N(SC[6a]OO)(CCCH)(H)	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HN)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CC[6a]HN)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	110.5140	0.303	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:2:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(CH3)	C(CC[6a]HO)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(CH3)	110.1250	0.000	1	110.1250	0.000	1	110.1250	0.000	1	110.5140	0.303	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CC[6a]CH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(CCHH)(CH3)	C(CC[6a]CH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(CCHH)(CH3)	113.4170	0.668	2	113.4170	0.446	2	112.7125	0.457	6	112.7125	0.457	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CC[6a]CH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(CH3)2	C(CC[6a]CH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(CH3)2	112.2780	0.000	1	112.2780	0.000	1	112.7125	0.457	6	112.7125	0.457	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	N(CCCH)(CH3)2	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	N(CCCH)(CH3)2	111.9330	0.000	1	111.9330	0.000	1	112.7125	0.457	6	112.7125	0.457	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:3:1:	4:4:4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(CH3)2	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(CH3)2	112.6150	0.173	2	112.6150	0.030	2	112.7125	0.457	6	112.7125	0.457	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CC[5a]CH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[5a]CH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:4:2:	4:1:1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:	C(CC[6a]CO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	N(CCCH)(H)2	C(CC[6a]CO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	N(CCCH)(H)2	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	3:4:4:4:	4:4:1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:	C(CC[5a]CC)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	N(CCCH)(CH3)(H)	C(CC[5a]CC)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	N(CCCH)(CH3)(H)	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)(CCH)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	C(CH3)(CCH)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)(H)	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CH3)(CNO)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	C(CH3)(CNO)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	108.5822	2.798	6	108.5822	7.826	6	108.5822	7.826	6	108.5822	7.826	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CF3)(CCH)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	C(CF3)(CCH)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.8210	0.307	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	109.7420	0.000	1	109.7420	0.000	1	110.1165	0.281	2	109.8210	0.307	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(COO)(H)	110.4910	0.000	1	110.4910	0.000	1	110.1165	0.281	2	109.8210	0.307	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:	C(CH3)(CCH)(NHN)(H)	C(CCHN)(H)3	N(CCCH)(NCH)(H)	C(CH3)(CCH)(NHN)(H)	C(CCHN)(H)3	N(CCCH)(NCH)(H)	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	109.8210	0.307	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:Br-1:Br-1:Br-1:	S-4:C-4:H-1:	C(CBr3)(CCH)(NHS)(H)	C(CCHN)(Br)3	N(SC[6a]OO)(CCCH)(H)	C(CBr3)(CCH)(NHS)(H)	C(CCHN)(Br)3	N(SC[6a]OO)(CCCH)(H)	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	108.7765	0.424	4	108.7765	0.180	4	109.3281	3.474	9	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)	110.5755	1.768	2	110.5755	3.128	2	109.3281	3.474	9	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]3)(CCCH)(H)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	N(CC[6a]3)(CCCH)(H)	109.2320	3.144	3	109.2320	9.883	3	109.3281	3.474	9	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)(COO)(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	109.8950	0.560	2	109.8950	0.314	2	109.8950	0.314	2	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SNOO)(H)	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SNOO)(H)	111.3185	1.397	2	111.3185	1.950	2	111.3185	1.950	2	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	109.3950	0.398	4	109.3950	0.159	4	109.9431	0.796	10	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)(COO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CH3)(COO)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	110.3085	0.968	6	110.3085	0.938	6	109.9431	0.796	10	109.7657	1.981	24	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(NCH)	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(NCH)	113.9360	3.043	2	113.9360	9.262	2	112.6783	9.376	3	112.6783	9.376	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(NCH)	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(NCH)	110.1630	0.000	1	110.1630	0.000	1	112.6783	9.376	3	112.6783	9.376	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHN)2	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHN)2	110.4210	0.124	2	110.4210	0.015	2	113.0240	6.098	5	113.8987	6.485	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	115.1260	0.000	1	115.1260	0.000	1	113.0240	6.098	5	113.8987	6.485	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHS)2	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHS)2	113.6840	0.000	1	113.6840	0.000	1	113.0240	6.098	5	113.8987	6.485	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	115.4680	0.000	1	115.4680	0.000	1	113.0240	6.098	5	113.8987	6.485	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)(CHH)(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	C(CH3)(CHH)(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	113.8987	6.485	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:1:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)(COO)(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2O)2(CCCH)	C(CH3)(COO)(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2O)2(CCCH)	115.3350	0.000	1	115.3350	0.000	1	115.3350	0.000	1	113.8987	6.485	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:	C(CHHS)(CNO)(NHH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(H)2	C(CHHS)(CNO)(NHH)(H)	C(CCHN)(SC)(H)2	N(CCCH)(H)2	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-2:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CC)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CC)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	115.2795	2.477	2	115.2795	6.136	2	115.2795	6.136	2	114.3230	4.418	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(CCH)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	C(CHHO)(CCH)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	115.6190	0.000	2	115.6190	0.000	2	113.8448	4.404	4	114.3230	4.418	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:2:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(COO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CHHS)2	C(CHHO)(COO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CHHS)2	112.0705	0.787	2	112.0705	0.619	2	113.8448	4.404	4	114.3230	4.418	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:2:2:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-2:O-2:H-1:	S-4:C-4:H-1:	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CC)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CC)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	108.9410	0.000	2	108.9410	0.000	2	108.9410	0.000	2	108.9410	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:3:3:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(COO)(NCC)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)2	C(CCHH)(COO)(NCC)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)2	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CCH)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)2(H)	C(CCHH)(CCH)(NCH)(H)	C(CCHN)(CCH)(H)2	N(CCCH)2(H)	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	109.5460	3.001	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CNO)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CNO)(H)2	N(SC[6a]OO)(CCCH)(H)	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	109.5460	3.001	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:3:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHS)(COO)(NCC)(H)	C(CCHN)(SFe2)(H)2	N(CCCH)(CHHS)2	C(CHHS)(COO)(NCC)(H)	C(CCHN)(SFe2)(H)2	N(CCCH)(CHHS)2	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:3:2:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(CCH)(NCC)(H)	C(CCHN)(COO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHO)(CCH)(NCC)(H)	C(CCHN)(COO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:3:3:2:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-3:C-3:O-2:	C-4:C-4:C-4:	C(CCCO)(COO)(NCC)(H)	C(CCHN)(CCH)(COO)(OH)	N(CC[6a]HH)2(CCCH)	C(CCCO)(COO)(NCC)(H)	C(CCHN)(CCH)(COO)(OH)	N(CC[6a]HH)2(CCCH)	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[3]O)(CCCH)(H)	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:1:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(COO)(NHH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)2	C(CCHH)(COO)(NHH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)2	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.4390	0.000	1	110.4390	0.000	1	109.6040	0.598	3	109.6040	0.598	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	108.9120	0.000	1	108.9120	0.000	1	109.6040	0.598	3	109.6040	0.598	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	109.4610	0.000	1	109.4610	0.000	1	109.6040	0.598	3	109.6040	0.598	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:Br-1:H-1:	S-4:C-4:H-1:	C(CBrCH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(Br)(H)	N(SC[6a]OO)(CCCH)(H)	C(CBrCH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(Br)(H)	N(SC[6a]OO)(CCCH)(H)	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:Cl-1:H-1:	S-4:C-4:H-1:	C(CClCH)(CCH)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	N(SC[6a]OO)(CCCH)(H)	C(CClCH)(CCH)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	N(SC[6a]OO)(CCCH)(H)	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	110.3150	0.000	1	110.3150	0.000	1	110.7668	3.463	6	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CHH)(NCH)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(CHH)(NCH)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)(H)	109.8720	0.000	1	109.8720	0.000	1	110.7668	3.463	6	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CNO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	C(CCHH)(CNO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	110.5035	0.687	2	110.5035	0.471	2	110.7668	3.463	6	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]3)(CCCH)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]3)(CCCH)(H)	111.7035	3.734	2	111.7035	13.944	2	110.7668	3.463	6	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CCHH)(COO)(NHP)(H)	C(CCCH)(CCHN)(H)2	N(PRhOO)(CCCH)(H)	C(CCHH)(COO)(NHP)(H)	C(CCCH)(CCHN)(H)2	N(PRhOO)(CCCH)(H)	111.6290	0.082	2	111.6290	0.007	2	111.6290	0.007	2	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	107.0830	0.000	1	107.0830	0.000	1	110.1743	3.127	15	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(H)2	N(SC[6a]OO)(CCCH)(H)	107.7530	0.000	1	107.7530	0.000	1	110.1743	3.127	15	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CNO)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CNO)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	107.3870	0.000	1	107.3870	0.000	1	110.1743	3.127	15	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(COO)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	110.7956	1.071	5	110.7956	1.146	5	110.1743	3.127	15	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	112.0360	0.828	3	112.0360	0.685	3	110.1743	3.127	15	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CHHS)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CHHS)(H)2	N(SC[6a]OO)(CCCH)(H)	110.0763	0.869	4	110.0763	0.755	4	110.1743	3.127	15	110.2753	3.126	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CCH)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHH)(CCH)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	112.5335	2.242	2	112.5335	5.028	2	112.2656	1.388	5	112.3867	1.915	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CCH)(NCC)(H)	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHH)(CCH)(NCC)(H)	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCCH)	111.6650	0.000	1	111.6650	0.000	1	112.2656	1.388	5	112.3867	1.915	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CHHS)2	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CHHS)2	112.2980	0.127	2	112.2980	0.016	2	112.2656	1.388	5	112.3867	1.915	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:1:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	112.6895	2.384	2	112.6895	5.682	2	112.6895	5.682	2	112.3867	1.915	7	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:2:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CH3)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CH3)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CCHN)(CCC)(H)	N(CCCH)(SCOO)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CCHN)(CCC)(H)	N(CCCH)(SCOO)(H)	109.8420	0.000	1	109.8420	0.000	1	110.9097	0.889	3	110.9097	0.889	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CCC)(H)	N(CCCH)(SCOO)(H)	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CCC)(H)	N(CCCH)(SCOO)(H)	111.4435	0.262	2	111.4435	0.069	2	110.9097	0.889	3	110.9097	0.889	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CCCH)(CCH)(NCC)(H)	C(CCCH)(CCHN)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCCH)(CCH)(NCC)(H)	C(CCCH)(CCHN)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	110.0400	0.000	1	110.0400	0.000	1	110.3490	6.741	3	109.4770	7.535	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CCCH)(CCH)(NCC)(H)	C(CC[6a]CH)(CCHN)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCCH)(CCH)(NCC)(H)	C(CC[6a]CH)(CCHN)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	110.5035	3.652	2	110.5035	13.339	2	110.3490	6.741	3	109.4770	7.535	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:3:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(CCH)(NCC)(H)	C(CC[6a]HH)(CCHN)(NHS)(H)	N(CCCH)(CCHH)2	C(CCHN)(CCH)(NCC)(H)	C(CC[6a]HH)(CCHN)(NHS)(H)	N(CCCH)(CCHH)2	106.8610	0.000	1	106.8610	0.000	1	106.8610	0.000	1	109.4770	7.535	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:3:2:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:O-2:	S-4:C-4:H-1:	C(CCCO)(COO)(NHS)(H)	C(CCHN)(CH3)(CCC)(OH)	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(COO)(NHS)(H)	C(CCHN)(CH3)(CCC)(OH)	N(SC[6a]OO)(CCCH)(H)	109.5610	0.000	2	109.5610	0.000	2	109.3740	0.105	3	109.3740	0.105	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:3:2:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:O-2:	S-4:C-4:H-1:	C(CCCO)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(OH)	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(OH)	N(SC[6a]OO)(CCCH)(H)	109.0000	0.000	1	109.0000	0.000	1	109.3740	0.105	3	109.3740	0.105	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	3:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]O)(CCCH)(H)	122.6910	0.000	2	122.6910	0.000	2	122.6910	0.000	2	122.6910	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:1:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:	C(CCCH)(CNO)(NHH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)2	C(CCCH)(CNO)(NHH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)2	109.9045	0.576	2	109.9045	0.332	2	111.6337	3.674	8	111.6337	3.674	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:1:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:	C(CCCH)(CNO)(NHH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)2	C(CCCH)(CNO)(NHH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)2	112.2102	1.866	6	112.2102	3.482	6	111.6337	3.674	8	111.6337	3.674	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)	109.3690	0.000	1	109.3690	0.000	1	111.0358	1.636	4	111.0358	1.636	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)(H)	110.9720	0.000	1	110.9720	0.000	1	111.0358	1.636	4	111.0358	1.636	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(COO)(H)	111.9010	0.793	2	111.9010	0.629	2	111.0358	1.636	4	111.0358	1.636	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[5a]C[6a]H)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[5a]C[6a]H)(CCCH)(H)	113.3140	0.000	1	113.3140	0.000	1	111.9528	5.898	9	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]3)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]3)(CCCH)(H)	108.7240	0.000	1	108.7240	0.000	1	111.9528	5.898	9	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)	113.0406	2.345	5	113.0406	5.500	5	111.9528	5.898	9	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCHH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCHH)(H)	110.7200	0.000	1	110.7200	0.000	1	111.9528	5.898	9	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]3)(CCCH)(H)	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]3)(CCCH)(H)	109.6140	0.000	1	109.6140	0.000	1	111.9528	5.898	9	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:H-1:	C(CCCH)(CNO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(SNOO)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(SNOO)(H)	108.5080	1.526	2	108.5080	2.328	2	107.0863	7.228	3	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:H-1:	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SNOO)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SNOO)(H)	104.2430	0.000	1	104.2430	0.000	1	107.0863	7.228	3	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	109.3215	0.104	2	109.3215	0.011	2	110.4770	1.705	8	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	110.7440	0.000	1	110.7440	0.000	1	110.4770	1.705	8	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	110.8858	1.445	5	110.8858	2.087	5	110.4770	1.705	8	110.6325	6.694	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:2:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:	C(CCCH)(CCH)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]CH)(CCCH)(OH)	C(CCCH)(CCH)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]CH)(CCCH)(OH)	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:S-3:	C(CCCH)(CNO)(NCS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(SCO)	C(CCCH)(CNO)(NCS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(SCO)	111.1030	0.750	2	111.1030	0.562	2	111.1030	0.562	2	111.1030	0.562	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CHHN)2	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CHHN)2	113.0727	0.473	3	113.0727	0.224	3	112.7716	0.282	5	112.8355	0.250	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)2	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)2	112.3200	0.000	2	112.3200	0.000	2	112.7716	0.282	5	112.8355	0.250	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:1:	4:4:4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:C-4:	C(CCCH)(COO)(NCS)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	C(CCCH)(COO)(NCS)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	113.1550	0.000	1	113.1550	0.000	1	113.1550	0.000	1	112.8355	0.250	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:3:	3:4:3:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-4:N-3:	C(CC3)(COO)(NCN)(H)	C(CCHH)(CCHN)(CH3)(CCH)	N(CC[6a]O)(CCCH)(NCH)	C(CC3)(COO)(NCN)(H)	C(CCHH)(CCHN)(CH3)(CCH)	N(CC[6a]O)(CCCH)(NCH)	114.1715	0.248	2	114.1715	0.062	2	114.1715	0.062	2	114.1715	0.062	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:3:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:S-3:H-1:	C(CC3)(CCH)(NHS)(H)	C(CCHN)(CH3)2(CCH)	N(CCCH)(SCO)(H)	C(CC3)(CCH)(NHS)(H)	C(CCHN)(CH3)2(CCH)	N(CCCH)(SCO)(H)	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(CC3)(CHN)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	C(CC3)(CHN)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	111.7515	0.326	2	111.7515	0.106	2	112.0270	0.115	5	112.0270	0.115	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:1:	4:4:4:4:	4:3:1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(CC3)(COO)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	C(CC3)(COO)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	112.2107	0.224	3	112.2107	0.050	3	112.0270	0.115	5	112.0270	0.115	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:2:	4:4:2:1:	4:4:1:	C-4:C-3:N-3:C-2:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:	C(CCHO)(CCO)(NHS)(CC)	C(CCCN)(CCHH)(OSi)(H)	N(CC3)(SO3)(H)	C(CCHO)(CCO)(NHS)(CC)	C(CCCN)(CCHH)(OSi)(H)	N(CC3)(SO3)(H)	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:3:3:	3:3:4:1:	4:1:1:	C-4:C-3:C-3:N-3:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:	C(CC[5a]C[6a]H)(COO)2(NHH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	N(CC3)(H)2	C(CC[5a]C[6a]H)(COO)2(NHH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	N(CC3)(H)2	112.5450	0.239	2	112.5450	0.057	2	112.5450	0.057	2	112.5450	0.057	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:4:1:	3:4:1:1:	3:4:1:	C-4:N-3:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(C[6a]C[6a]2)(CCHP)(H)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(C[6a]C[6a]2)(CCHP)(H)	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:4:1:	3:4:4:1:	4:4:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:H-1:	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	N(C[6]C[6]2H)(CCCH)(H)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	N(C[6]C[6]2H)(CCCH)(H)	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:4:1:	4:1:1:1:	3:4:4:	C[5]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	C(CC[5]HN)(H)3	N(C[5a]N[5a]2)(CC[5]CH)(CH3)	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	C(CC[5]HN)(H)3	N(C[5a]N[5a]2)(CC[5]CH)(CH3)	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:4:1:	4:1:1:1:	4:4:1:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:4:3:	3:4:2:1:	3:4:1:	C-4:N-3:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	N(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	N(C[6a]C[6a]2)(CC3)(H)	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:4:3:	4:4:1:1:	3:4:1:	C-4:N-3:C-4:C-3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(CCCN)(CCHH)(H)2	N(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(CCCN)(CCHH)(H)2	N(C[6a]C[6a]2)(CC3)(H)	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C(CC[5]CN)(H)3	N(C[6a]C[6a]2)(CC[5]CC)(H)	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C(CC[5]CN)(H)3	N(C[6a]C[6a]2)(CC[5]CC)(H)	107.8340	4.322	2	107.8340	18.678	2	107.8340	18.678	2	107.8340	18.678	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(CCHH)(H)	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(CCHH)(H)	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	109.9830	19.481	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CHHS)(NHS)(H)	C(SC[6a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CHHS)(NHS)(H)	C(SC[6a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	109.9830	19.481	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	2:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCHS)(CF3)(NCH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	N(CC[6a]HH)(CCCH)(H)	C(CCHS)(CF3)(NCH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	N(CC[6a]HH)(CCCH)(H)	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	110.6595	0.574	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	2:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	S-2:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCHH)(CCHS)(NHS)(H)	C(SC[6a])(CCHH)(CCHN)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CCHS)(NHS)(H)	C(SC[6a])(CCHH)(CCHN)(H)	N(SC[6a]OO)(CCCH)(H)	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.6595	0.574	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	2:4:4:2:	4:4:1:	C-4:C-4:N-3:H-1:	O-2:C-4:C-4:C-2:	S-4:C-4:H-1:	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	2:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	O-2:C-4:C-4:C-4:	S-4:C-4:H-1:	C(CCCO)(CH3)(NHS)(H)	C(OC[6a])(CCHN)(CH3)2	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(CH3)(NHS)(H)	C(OC[6a])(CCHN)(CH3)2	N(SC[6a]OO)(CCCH)(H)	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:2:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	S-4:S-4:C-4:	C(CC[6a]HO)(CH3)(NSS)(H)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	N(SC[6a]OO)2(CCCH)	C(CC[6a]HO)(CH3)(NSS)(H)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	N(SC[6a]OO)2(CCCH)	111.9030	1.219	2	111.9030	1.486	2	111.9030	1.486	2	111.9030	1.486	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]2H)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]2H)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(SC[6a]OO)(CCCH)(H)	107.0690	0.000	1	107.0690	0.000	1	107.0690	0.000	1	107.0690	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:C-4:C-4:	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	N(CCCH)(CH3)2	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	N(CCCH)(CH3)2	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:3:4:2:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	S-4:C-4:H-1:	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(SC[6a]OO)(CCCH)(H)	108.2000	2.110	2	108.2000	4.452	2	108.2000	4.452	2	108.2000	4.452	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]H)(CCCH)(CH3)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]H)(CCCH)(CH3)	108.7700	0.000	2	108.7700	0.000	2	108.7700	0.000	2	108.7700	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CCHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	C(CC[6a]HH)(CCHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	110.8380	3.394	2	110.8380	11.520	2	110.9775	7.501	4	110.9775	7.501	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CH3)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	C(CC[6a]HH)(CH3)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	113.4520	0.000	1	113.4520	0.000	1	110.9775	7.501	4	110.9775	7.501	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)2	108.7820	0.000	1	108.7820	0.000	1	110.9775	7.501	4	110.9775	7.501	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(OH)(H)	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-3:C-4:F-1:F-1:	C-4:S-3:H-1:	C(CCFF)(CF3)(NHS)(H)	C(CC[5a]O)(CCHN)(F)2	N(CCCH)(SCO)(H)	C(CCFF)(CF3)(NHS)(H)	C(CC[5a]O)(CCHN)(F)2	N(CCCH)(SCO)(H)	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	109.7687	2.817	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(CH3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CCHH)(CH3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(SCO)(H)	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	109.7687	2.817	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]HH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CC[6a]HH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCO)(H)	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	109.7687	2.817	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:3:2:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(CF3)(NCO)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(COO)(OC)	C(CCHH)(CF3)(NCO)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(COO)(OC)	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-3:C-4:Br-1:Br-1:	S-4:C-4:H-1:	C(CBr2C)(CBrCH)(NHS)(H)	C(CC[6a]O)(CCHN)(Br)2	N(SC[6a]OO)(CCCH)(H)	C(CBr2C)(CBrCH)(NHS)(H)	C(CC[6a]O)(CCHN)(Br)2	N(SC[6a]OO)(CCCH)(H)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)2(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)2(H)	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCOO)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(SCOO)(H)	109.3055	0.086	2	109.3055	0.007	2	109.3055	0.007	2	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	113.1345	1.551	2	113.1345	2.405	2	110.0190	5.525	8	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CCHN)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CCHN)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	111.2520	0.000	1	111.2520	0.000	1	110.0190	5.525	8	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	107.4050	0.000	1	107.4050	0.000	1	110.0190	5.525	8	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	109.4775	0.882	2	109.4775	0.778	2	110.0190	5.525	8	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	108.2860	0.000	1	108.2860	0.000	1	110.0190	5.525	8	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CHHS)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CHHS)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	107.9850	0.000	1	107.9850	0.000	1	110.0190	5.525	8	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CHHN)(NHS)(H)	C(NC[6a]C)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CHHN)(NHS)(H)	C(NC[6a]C)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	111.2875	0.227	2	111.2875	0.052	2	111.2875	0.052	2	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CN[6]HH)(CCCH)(NHS)(H)	C(N[6]C[6]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CN[6]HH)(CCCH)(NHS)(H)	C(N[6]C[6]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	105.9700	0.000	1	105.9700	0.000	1	105.9700	0.000	1	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(F)2	N(CC[6a]CH)(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(F)2	N(CC[6a]CH)(CC[5]CH)(H)	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[6]-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	N(SC[6a]OO)(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	N(SC[6a]OO)(CC[6]CH)(H)	110.1060	0.338	2	110.1060	0.114	2	110.1060	0.114	2	110.0227	3.693	19	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	113.2920	2.347	3	113.2920	5.508	3	111.0119	5.008	36	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	114.4000	0.000	1	114.4000	0.000	1	111.0119	5.008	36	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	113.5363	3.107	3	113.5363	9.653	3	111.0119	5.008	36	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CH3)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CH3)	110.4208	1.822	25	110.4208	3.320	25	111.0119	5.008	36	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	108.9150	0.919	2	108.9150	0.845	2	111.0119	5.008	36	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHHP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)2	C(CC[6a]HH)(CHHP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)2	111.4930	0.000	1	111.4930	0.000	1	111.0119	5.008	36	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHOP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CHOP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	111.6980	0.000	1	111.6980	0.000	1	111.0119	5.008	36	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HH)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6]OO)(CCCH)(CCHO)	C(CC[6a]HH)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6]OO)(CCCH)(CCHO)	112.2120	0.000	1	112.2120	0.000	1	112.2120	0.000	1	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:C-4:	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(SC[6a]OO)(CC[5]CH)(CCHH)	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	N(SC[6a]OO)(CC[5]CH)(CCHH)	112.1405	0.660	2	112.1405	0.435	2	112.1405	0.435	2	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[6]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6]HN)(H)2	N(CC[6a]HH)2(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6]HN)(H)2	N(CC[6a]HH)2(CC[6]CH)	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	111.1966	4.969	40	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:	C(CC[6a]HO)(CHHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)2	C(CC[6a]HO)(CHHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)2	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	S-4:C-4:H-1:	C(CC[6a]HN)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HN)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(SC[6a]OO)(CCCH)(H)	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	109.4342	2.505	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)(H)	108.1120	0.273	3	108.1120	0.075	3	108.1120	0.075	3	109.4342	2.505	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	110.4810	1.196	2	110.4810	1.431	2	110.4810	1.431	2	109.4342	2.505	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CCCH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CC[6a]HO)(CCCH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	108.4230	0.733	2	108.4230	0.537	2	111.0373	3.205	15	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CC[6a]HH)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(CC[6a]HH)(CCCH)(CH3)	112.3720	1.458	6	112.3720	2.127	6	111.0373	3.205	15	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CCHH)2	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CCHH)2	110.9755	2.321	2	110.9755	5.389	2	111.0373	3.205	15	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)2	110.6538	0.837	4	110.6538	0.701	4	111.0373	3.205	15	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)(CCCH)(CH3)	109.9160	0.000	1	109.9160	0.000	1	111.0373	3.205	15	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(PC[6a]BN)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(PC[6a]BN)(CCCH)(CH3)	112.6110	0.638	2	112.6110	0.407	2	112.2608	0.249	5	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	N(PC[6a]C[5]B)(CCCH)(CH3)	111.7400	0.000	1	111.7400	0.000	1	112.2608	0.249	5	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(PC[6a]2B)(CCCH)(CH3)	112.1710	0.236	2	112.1710	0.056	2	112.2608	0.249	5	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]HO)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(SC[6a]OO)(CCCH)(CCHH)	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:S-4:C-4:	C(CC[6a]HS)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	C(CC[6a]HS)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	111.2166	3.088	22	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:1:	3:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	S-3:C-4:H-1:	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(SC[6a]O)(CCCH)(H)	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(SC[6a]O)(CCCH)(H)	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:S-3:H-1:	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	N(CCCH)(SCO)(H)	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	N(CCCH)(SCO)(H)	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	109.6365	5.283	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(COO)(H)	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	109.6365	5.283	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:	C(CC[6a]CH)(CCCH)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(NCH)(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	N(CCCH)(NCH)(H)	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.6365	5.283	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-3:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(CCCH)(SCO)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(CCCH)(SCO)(H)	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	109.6365	5.283	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(CC[6a]HN)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CC[6a]HH)(CCCH)(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CC[6a]HH)(CCCH)(H)	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CC[6a]HN)(CCHH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	N(CC[6a]HH)(CCCH)2	C(CC[6a]HN)(CCHH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	N(CC[6a]HH)(CCCH)2	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:3:2:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:S-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	N(CC[6]CH)(SCO)(H)	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	N(CC[6]CH)(SCO)(H)	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:C-4:C-4:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	N(CCCH)(CH3)2	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	N(CCCH)(CH3)2	110.5140	0.942	2	110.5140	0.887	2	110.5140	0.887	2	110.5140	0.887	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:4:2:	4:4:1:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:C-4:C-2:	S-4:C-4:H-1:	C(CN[6]CC)(CHHO)(NHS)(H)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	C(CN[6]CC)(CHHO)(NHS)(H)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	N(SC[6a]OO)(CCCH)(H)	111.9765	1.019	2	111.9765	1.038	2	111.9765	1.038	2	111.9765	1.038	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	2:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-2:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[6])(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[6])(CCCH)2	113.5423	0.342	3	113.5423	0.117	3	113.5423	0.117	3	113.5423	0.117	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:3:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	N-3:C-3:C-4:	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(NC[6a]Fe)(CC[6a]N)(CCCH)	C(CH3)2(NCN)(H)	C(CCHN)(H)3	N(NC[6a]Fe)(CC[6a]N)(CCCH)	111.2105	0.063	2	111.2105	0.004	2	111.2105	0.004	2	111.7130	0.393	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:3:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:P-3:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2)(PC[6a]N)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2)(PC[6a]N)(CCCH)	112.2155	0.408	2	112.2155	0.166	2	112.2155	0.166	2	111.7130	0.393	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	109.2980	2.257	2	109.2980	5.094	2	109.8371	1.140	16	109.8371	1.140	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(H)	109.9082	1.016	6	109.9082	1.033	6	109.8371	1.140	16	109.8371	1.140	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CN[5a]N)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CN[5a]N)(CCCH)(H)	109.9185	0.940	8	109.9185	0.883	8	109.8371	1.140	16	109.8371	1.140	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(CNO)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)(CNO)	112.4605	1.167	2	112.4605	1.363	2	112.4605	1.363	2	112.4605	1.363	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[3x3,4,3x5,14x6]C[5])(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[3x3,4,3x5,14x6]C[5])(CCCH)2	112.7028	0.823	8	112.7028	0.677	8	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5,6]C)(CCCH)(CCHH)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5,6]C)(CCCH)(CCHH)	112.2780	0.205	2	112.2780	0.042	2	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]Cl)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]Cl)(CCCH)2	111.5182	1.150	4	111.5182	1.322	4	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]V)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5]V)(CCCH)2	112.6898	1.201	4	112.6898	1.442	4	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	112.2157	0.735	4	112.2157	0.541	4	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6]N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6]N)(CCCH)2	113.9945	1.956	8	113.9945	3.827	8	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]N)(CCCH)(CH3)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]N)(CCCH)(CH3)	111.4730	1.369	2	111.4730	1.874	2	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PClCo)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PClCo)(CCCH)2	111.8775	0.908	4	111.8775	0.824	4	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PP[3]N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PP[3]N)(CCCH)2	112.3029	0.885	8	112.3029	0.782	8	112.5615	1.808	44	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-3:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]N[5])(PC[6a]2Pd)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]N[5])(PC[6a]2Pd)(CCCH)	111.9075	2.406	2	111.9075	5.790	2	111.9075	5.790	2	112.5331	1.874	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	111.2518	4.836	8	111.2518	23.384	8	111.9111	20.486	11	111.9111	20.486	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	C(CC[6a]HH)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	116.8900	0.000	1	116.8900	0.000	1	111.9111	20.486	11	111.9111	20.486	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(H)3	N(CCCH)(H)2	112.0590	3.586	2	112.0590	12.863	2	111.9111	20.486	11	111.9111	20.486	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:N-3:H-1:	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(F)3	N(CCCH)(NCH)(H)	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(F)3	N(CCCH)(NCH)(H)	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	C(CCCH)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	106.5270	0.000	1	106.5270	0.000	1	110.4933	9.885	4	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCFF)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	C(CCFF)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	109.7530	0.000	1	109.7530	0.000	1	110.4933	9.885	4	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	111.7740	0.000	1	111.7740	0.000	1	110.4933	9.885	4	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(F)3	N(CCCH)(SCO)(H)	113.9190	0.000	1	113.9190	0.000	1	110.4933	9.885	4	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNS)(H)	108.7840	0.000	1	108.7840	0.000	1	109.8727	2.719	42	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	109.4675	1.148	2	109.4675	1.317	2	109.8727	2.719	42	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCN)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCN)(H)	109.6873	2.091	4	109.6873	4.374	4	109.8727	2.719	42	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCO)(H)	109.7802	1.664	4	109.7802	2.768	4	109.8727	2.719	42	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNN)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNN)(H)	110.0228	1.469	26	110.0228	2.159	26	109.8727	2.719	42	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNP)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNP)(H)	109.5585	3.265	4	109.5585	10.658	4	109.8727	2.719	42	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CNO)(H)	110.2360	0.000	1	110.2360	0.000	1	109.8727	2.719	42	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:	C(CCHH)(CH3)(NHN)(H)	C(CCHN)(H)3	N(CCCH)(NCH)(H)	C(CCHH)(CH3)(NHN)(H)	C(CCHN)(H)3	N(CCCH)(NCH)(H)	112.6480	4.556	3	112.6480	20.755	3	112.6480	20.755	3	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CCCH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SCO)(H)	C(CCCH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SCO)(H)	112.2260	0.000	1	112.2260	0.000	1	112.4865	0.136	2	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SCO)(H)	C(CCHH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(CCCH)(SCO)(H)	112.7470	0.000	1	112.7470	0.000	1	112.4865	0.136	2	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(C[5]C[5]2H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	N(CC[5]CH)(SCO)(H)	C(C[5]C[5]2H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	N(CC[5]CH)(SCO)(H)	112.8500	0.000	1	112.8500	0.000	1	113.1130	0.138	2	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	N(CC[5]CH)(SCO)(H)	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	N(CC[5]CH)(SCO)(H)	113.3760	0.000	1	113.3760	0.000	1	113.1130	0.138	2	110.3793	4.752	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:3:2:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:O-2:	C(CCHH)(CF3)(NCO)(H)	C(CCHN)(F)3	N(CCCH)(COO)(OC)	C(CCHH)(CF3)(NCO)(H)	C(CCHN)(F)3	N(CCCH)(COO)(OC)	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:H-1:	C(CCHS)(CF3)(NCH)(H)	C(CCHN)(F)3	N(CC[6a]HH)(CCCH)(H)	C(CCHS)(CF3)(NCH)(H)	C(CCHN)(F)3	N(CC[6a]HH)(CCCH)(H)	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	111.0375	4.894	11	111.0375	23.954	11	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	112.8315	1.591	4	112.8315	2.532	4	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)	110.3567	0.141	3	110.3567	0.020	3	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)(H)	109.6545	1.201	2	109.6545	1.443	2	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	109.9530	1.485	14	109.9530	2.205	14	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	109.4038	1.142	8	109.4038	1.304	8	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5]CH)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5]CH)(CCCH)(H)	109.5000	1.500	4	109.5000	2.249	4	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5a]C[6a]H)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[5a]C[6a]H)(CCCH)(H)	109.0095	1.614	2	109.0095	2.606	2	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]CH)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]CH)(CCCH)(H)	109.1902	1.145	6	109.1902	1.311	6	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C[3]H)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CC[6a]C[3]H)(CCCH)(H)	111.2330	5.487	2	111.2330	30.109	2	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CFeNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CFeNN)(CCCH)(H)	111.0700	0.641	2	111.0700	0.410	2	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CPdNS)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CPdNS)(CCCH)(H)	109.2927	1.248	4	109.2927	1.557	4	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CRuNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CRuNN)(CCCH)(H)	109.6857	1.461	10	109.6857	2.135	10	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CYbNN)(CCCH)(H)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	N(CYbNN)(CCCH)(H)	110.0850	1.734	2	110.0850	3.006	2	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	114.0164	1.222	10	114.0164	1.494	10	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	113.5280	2.383	4	113.5280	5.677	4	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)	111.8000	0.000	1	111.8000	0.000	1	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)	110.1640	0.000	1	110.1640	0.000	1	110.7099	6.987	90	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	107.3670	0.000	1	107.3670	0.000	1	110.2019	1.059	35	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PCNO)(H)	110.3041	0.737	23	110.3041	0.544	23	110.2019	1.059	35	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PNNO)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PNNO)(H)	110.4520	1.249	7	110.4520	1.560	7	110.2019	1.059	35	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PNOO)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PNOO)(H)	110.2325	2.105	2	110.2325	4.431	2	110.2019	1.059	35	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)(H)	109.5380	0.809	2	109.5380	0.654	2	110.2019	1.059	35	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CC3)(CH3)(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)(H)	109.3530	0.000	1	109.3530	0.000	1	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)(H)	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)(H)	111.6960	0.000	1	111.6960	0.000	1	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6]2Pt)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6]2Pt)(CCCH)(H)	110.2350	0.334	2	110.2350	0.111	2	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2C)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2C)(CCCH)(H)	109.8220	2.829	4	109.8220	8.001	4	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)(CCCH)(H)	110.7097	1.398	12	110.7097	1.956	12	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Cu)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Cu)(CCCH)(H)	110.6900	1.994	2	110.6900	3.976	2	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2N)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2N)(CCCH)(H)	110.1556	1.569	8	110.1556	2.461	8	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Ni)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Ni)(CCCH)(H)	110.5165	1.908	2	110.5165	3.642	2	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Pt)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PC[6a]2Pt)(CCCH)(H)	110.4060	0.955	2	110.4060	0.911	2	110.4057	2.345	34	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CCCO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	109.9880	0.000	1	109.9880	0.000	1	110.7511	2.782	12	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	114.2780	0.000	1	114.2780	0.000	1	110.7511	2.782	12	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	110.5070	0.105	2	110.5070	0.011	2	110.7511	2.782	12	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HN)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HN)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	111.8350	0.000	1	111.8350	0.000	1	110.7511	2.782	12	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	111.3490	0.000	1	111.3490	0.000	1	110.7511	2.782	12	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)2(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CH3)2(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	109.3355	1.198	4	109.3355	1.434	4	110.7511	2.782	12	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(H)	111.6035	1.466	2	111.6035	2.149	2	110.7511	2.782	12	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C[3x6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CC[6a]HH)(H)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CC[6a]HH)(H)	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)(H)	107.2550	0.000	1	107.2550	0.000	1	108.2925	2.153	2	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[6a]HH)(CC[5]CH)(H)	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	N(CC[6a]HH)(CC[5]CH)(H)	109.3300	0.000	1	109.3300	0.000	1	108.2925	2.153	2	110.5417	4.578	175	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CC)	111.1580	0.509	4	111.1580	0.259	4	111.1580	0.259	4	111.3115	1.162	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(OH)	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(OH)	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	111.3115	1.162	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-2:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCo)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCo)	110.7082	0.574	4	110.7082	0.329	4	110.9613	0.209	15	111.3115	1.162	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-2:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PMo)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PMo)	111.0770	0.489	4	111.0770	0.239	4	110.9613	0.209	15	111.3115	1.162	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-2:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PW)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PW)	111.0399	0.379	7	111.0399	0.144	7	110.9613	0.209	15	111.3115	1.162	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:2:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:O-2:	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	C(CC[6]HN)(H)3	N(SC[6a]OO)(CC[6]CH)(OC)	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	C(CC[6]HN)(H)3	N(SC[6a]OO)(CC[6]CH)(OC)	113.7980	0.000	1	113.7980	0.000	1	113.7980	0.000	1	111.3115	1.162	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-3:	C(CH3)2(NCO)(H)	C(CCHN)(H)3	N(CCCH)2(OAl2)	C(CH3)2(NCO)(H)	C(CCHN)(H)3	N(CCCH)2(OAl2)	111.5807	3.016	4	111.5807	9.099	4	111.5807	9.099	4	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCC)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCC)	112.0660	0.625	4	112.0660	0.390	4	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCN)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCN)	112.3639	0.981	12	112.3639	0.962	12	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PMoP)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PMoP)	112.6346	1.140	8	112.6346	1.299	8	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNN)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNN)	113.8093	1.800	11	113.8093	3.242	11	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNP)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNP)	112.9081	0.583	8	112.9081	0.340	8	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNV)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PNV)	111.8773	0.568	4	111.8773	0.323	4	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPP)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPP)	111.4437	0.604	3	111.4437	0.364	3	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPW)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PPW)	112.7960	1.528	4	112.7960	2.334	4	112.7018	1.674	54	112.6245	2.117	58	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]2Fe)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]2Fe)(CCCH)2	111.7250	0.392	3	111.7250	0.154	3	111.6809	0.311	15	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]TiN)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BC[5]TiN)(CCCH)2	111.9510	0.321	4	111.9510	0.103	4	111.6809	0.311	15	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BRuHH)(CCCH)2	C(CH3)2(NBC)(H)	C(CCHN)(H)3	N(BRuHH)(CCCH)2	111.5294	0.683	8	111.5294	0.466	8	111.6809	0.311	15	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CC3)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	C(CC3)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	114.9020	0.000	1	114.9020	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	113.2780	0.000	1	113.2780	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	115.9010	0.000	1	115.9010	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)	114.3543	4.209	4	114.3543	17.714	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCHH)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCHH)	113.6800	0.000	1	113.6800	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	115.8393	0.108	3	115.8393	0.012	3	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHN)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	C(CCHN)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	113.6350	0.000	1	113.6350	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	C(CCHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	114.6400	0.000	1	114.6400	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	114.7597	0.436	3	114.7597	0.190	3	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	115.5205	0.907	2	115.5205	0.823	2	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	112.0670	3.272	4	112.0670	10.707	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CH3)	111.0146	3.398	7	111.0146	11.544	7	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	115.3010	0.000	1	115.3010	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCo2C)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	C(CCo2C)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	115.9830	0.000	1	115.9830	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CAlNN)(CCCH)2	112.9663	2.089	23	112.9663	4.366	23	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2	112.4415	1.830	58	112.4415	3.351	58	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHP)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHP)2	112.3887	2.061	14	112.3887	4.248	14	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHS)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CHHS)2	112.7043	2.092	4	112.7043	4.377	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)	112.7490	3.706	52	112.7490	13.735	52	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNNU)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)2(CNNU)	112.8105	1.519	11	112.8105	2.309	11	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)3	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCCH)3	113.1102	2.224	4	113.1102	4.947	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5]HH)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5]HH)(CCCH)2	112.7297	3.433	4	112.7297	11.788	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5a]HH)2(CCCH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[5a]HH)2(CCCH)	110.8335	0.237	2	110.8335	0.056	2	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6]HH)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6]HH)(CCCH)2	112.9600	3.217	4	112.9600	10.350	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCHH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCHH)	112.7615	2.891	2	112.7615	8.360	2	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)2	112.9097	2.768	14	112.9097	7.664	14	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)	113.3100	0.846	2	113.3100	0.715	2	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCeNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CCeNN)(CCCH)2	112.7890	1.263	8	112.7890	1.595	8	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CEuNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CEuNN)(CCCH)2	114.9210	1.943	4	114.9210	3.776	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CGdNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CGdNN)(CCCH)2	114.5823	1.897	4	114.5823	3.600	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CMnNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CMnNN)(CCCH)2	114.7853	1.100	4	114.7853	1.211	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSmNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSmNN)(CCCH)2	114.7952	1.961	4	114.7952	3.846	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSnNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CSnNN)(CCCH)2	114.2057	1.052	8	114.2057	1.107	8	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CTiNN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CTiNN)(CCCH)2	112.2355	2.111	4	112.2355	4.458	4	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CZrNO)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CZrNO)(CCCH)2	112.2346	1.565	20	112.2346	2.450	20	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2	113.5640	0.000	1	113.5640	0.000	1	112.9083	6.289	282	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCNS)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PCNS)	115.1593	2.073	7	115.1593	4.299	7	113.9986	5.462	11	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PRu3)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(CCCH)2(PRu3)	111.9675	0.982	4	111.9675	0.964	4	113.9986	5.462	11	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:	C(CC[6a]HS)(CH3)(NCS)(H)	C(CCHN)(H)3	N(CC[6a]HH)(SC[6a]OO)(CCCH)	C(CC[6a]HS)(CH3)(NCS)(H)	C(CCHN)(H)3	N(CC[6a]HH)(SC[6a]OO)(CCCH)	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2B)(CCCH)(CH3)	112.7115	0.112	2	112.7115	0.013	2	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]BN)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]BN)(CCCH)(CH3)	112.3220	1.049	2	112.3220	1.101	2	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	N(PC[6a]C[5]B)(CCCH)(CH3)	113.4530	0.000	1	113.4530	0.000	1	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5,6]RhC)(CCCH)(CCHH)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[5,6]RhC)(CCCH)(CCHH)	113.3865	3.029	2	113.3865	9.172	2	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)2	112.6198	1.632	44	112.6198	2.664	44	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2S)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]2S)(CCCH)2	113.8063	1.392	4	113.8063	1.937	4	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]NO)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]NO)(CCCH)2	112.5733	1.342	7	112.5733	1.801	7	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]OO)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PC[6a]OO)(CCCH)2	111.9160	0.970	4	111.9160	0.941	4	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCl2N)(CCCH)2	111.5255	0.879	8	111.5255	0.772	8	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PCrOO)(CCCH)2	116.8250	2.506	2	116.8250	6.280	2	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PFe2H)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PFe2H)(CCCH)2	111.8738	0.543	4	111.8738	0.294	4	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[5a]PdN)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PN[5a]PdN)(CCCH)2	113.5263	1.404	8	113.5263	1.971	8	112.7048	2.683	88	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)2(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)2(CCCH)	111.8520	1.431	2	111.8520	2.048	2	113.5264	2.350	14	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Cr)(PC[6a]CrN)(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Cr)(PC[6a]CrN)(CCCH)	112.7300	0.133	2	112.7300	0.018	2	113.5264	2.350	14	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Fe)2(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Fe)2(CCCH)	114.5470	1.034	8	114.5470	1.069	8	113.5264	2.350	14	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Ni)2(CCCH)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	N(PC[6a]2Ni)2(CCCH)	111.9150	0.775	2	111.9150	0.601	2	113.5264	2.350	14	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(CCHH)	C(CC[6a]HO)(CH3)(NCS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(CCHH)	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:S-4:	C(CCFH)(CH3)(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(SO3)	C(CCFH)(CH3)(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)(SO3)	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:S-4:C-4:	C(CC[6a]HO)(CH3)(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)2(CCCH)	C(CC[6a]HO)(CH3)(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)2(CCCH)	112.6140	0.047	2	112.6140	0.002	2	112.6175	0.316	4	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	S-4:S-4:C-4:	C(CH3)2(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)2(CCCH)	C(CH3)2(NSS)(H)	C(CCHN)(H)3	N(SC[6a]OO)2(CCCH)	112.6210	0.973	2	112.6210	0.947	2	112.6175	0.316	4	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2	113.9398	0.203	4	113.9398	0.041	4	113.2419	5.459	27	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2	113.1628	2.510	21	113.1628	6.301	21	113.2419	5.459	27	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(CH3)	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[6a]CH)(CC[5]CH)(CH3)	115.2360	0.000	1	115.2360	0.000	1	113.2419	5.459	27	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[5]C[5]2Ru)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2	C(C[5]C[5]2Ru)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2	110.1190	0.000	1	110.1190	0.000	1	113.2419	5.459	27	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6]C[6]2Cr)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CH3)2	C(C[6]C[6]2Cr)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CH3)2	115.1330	1.580	2	115.1330	2.495	2	114.8203	1.541	3	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[6]C[6]2H)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	N(CC[6a]HH)2(CC[6]CH)	C(C[6]C[6]2H)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	N(CC[6a]HH)2(CC[6]CH)	114.1950	0.000	1	114.1950	0.000	1	114.8203	1.541	3	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:4:	P-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(PHOO)(CH3)(NCC)(H)	C(CHNP)(H)3	N(CC[6a]HH)2(CCHP)	C(PHOO)(CH3)(NCC)(H)	C(CHNP)(H)3	N(CC[6a]HH)2(CCHP)	116.1215	0.168	2	116.1215	0.028	2	116.1215	0.028	2	112.9194	5.179	449	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	5:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PCeCNO)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PCeCNO)(CCCH)(H)	110.4874	1.299	12	110.4874	1.688	12	110.6972	1.797	16	110.6972	1.797	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	5:4:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PLiNNS)(CCCH)(H)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	N(PLiNNS)(CCCH)(H)	111.3265	1.447	4	111.3265	2.093	4	110.6972	1.797	16	110.6972	1.797	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	5:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CBa2NN)(CCCH)2	C(CH3)2(NCC)(H)	C(CCHN)(H)3	N(CBa2NN)(CCCH)2	114.4967	1.482	4	114.4967	2.197	4	114.4967	2.197	4	114.5056	1.301	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	5:4:4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PPtRu3)(CCCH)2	C(CH3)2(NCP)(H)	C(CCHN)(H)3	N(PPtRu3)(CCCH)2	114.5145	0.916	4	114.5145	0.839	4	114.5145	0.839	4	114.5056	1.301	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	3:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]H)(CCCH)(CH3)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]H)(CCCH)(CH3)	114.6930	0.000	2	114.6930	0.000	2	114.6930	0.000	2	114.6930	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	108.1680	0.000	1	108.1680	0.000	1	108.3715	0.668	4	108.4604	0.541	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:	C(CCFH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	C(CCFH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	107.8950	0.000	1	107.8950	0.000	1	108.3715	0.668	4	108.4604	0.541	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	109.5790	0.000	1	109.5790	0.000	1	108.3715	0.668	4	108.4604	0.541	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HO)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	C(CC[6a]HO)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)2	107.8440	0.000	1	107.8440	0.000	1	108.3715	0.668	4	108.4604	0.541	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:Se-2:H-1:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(CCHN)(SeC)(H)2	N(CCCH)(H)2	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(CCHN)(SeC)(H)2	N(CCCH)(H)2	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.4604	0.541	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	N(CCCH)(COO)(H)	110.9725	0.142	2	110.9725	0.020	2	110.9725	0.020	2	110.9725	0.020	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)	107.9421	0.316	7	107.9421	0.100	7	109.1072	3.673	13	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)(CCCH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)(CCCH)(H)	108.7110	0.000	1	108.7110	0.000	1	109.1072	3.673	13	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)	109.3240	0.000	1	109.3240	0.000	1	109.1072	3.673	13	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)2(H)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)2(H)	108.9000	0.000	1	108.9000	0.000	1	109.1072	3.673	13	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)	112.7280	2.413	2	112.7280	5.821	2	109.1072	3.673	13	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)2(H)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	N(CCCH)2(H)	110.4070	0.000	1	110.4070	0.000	1	109.1072	3.673	13	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CCCO)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCCO)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	106.6380	0.000	1	106.6380	0.000	1	109.0313	3.432	9	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	109.1470	0.000	1	109.1470	0.000	1	109.0313	3.432	9	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CC[5a]HH)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[5a]HH)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	106.7390	0.000	1	106.7390	0.000	1	109.0313	3.432	9	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]2H)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]2H)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	111.6730	0.000	1	111.6730	0.000	1	109.0313	3.432	9	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	111.6340	0.000	1	111.6340	0.000	1	109.0313	3.432	9	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)(H)	109.0495	1.497	2	109.0495	2.241	2	109.0313	3.432	9	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:	C(CN[6]CC)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CN[6]CC)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	N(SC[6a]OO)(CCCH)(H)	108.6760	0.462	2	108.6760	0.214	2	109.0313	3.432	9	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:Se-2:H-1:H-1:	S-4:C-4:H-1:	C(CSeHH)(CCCH)(NHS)(H)	C(CCHN)(SeSe)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCHN)(SeSe)(H)2	N(SC[6a]OO)(CCCH)(H)	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	C(CC[5]HN)(OSi)(H)2	N(CC[5]CH)(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	C(CC[5]HN)(OSi)(H)2	N(CC[5]CH)(CCHH)(H)	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	S-4:C-4:H-1:	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C(CC[5]HN)(SC)(H)2	N(SC[6a]OO)(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C(CC[5]HN)(SC)(H)2	N(SC[6a]OO)(CC[5]CH)(H)	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	109.1096	3.196	25	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:S-3:	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)(CCCH)(SCO)	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)(CCCH)(SCO)	110.0510	0.000	1	110.0510	0.000	1	110.5020	0.154	3	110.5020	0.154	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:S-3:	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OS)(H)2	N(CC[6a]HH)(CCCH)(SCO)	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OS)(H)2	N(CC[6a]HH)(CCCH)(SCO)	110.7275	0.045	2	110.7275	0.002	2	110.5020	0.154	3	110.5020	0.154	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CN)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CN)(H)2	N(CC[6a]HH)2(CCCH)	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-2:H-1:H-1:	S-4:C-4:C-4:	C(CC[6a]HH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	N(SC[6]OO)(CCCH)(CCHO)	C(CC[6a]HH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	N(SC[6]OO)(CCCH)(CCHO)	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	115.7243	0.235	6	115.7243	0.055	6	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CHHN)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CHHN)2	109.0530	0.000	2	109.0530	0.000	2	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)2(CCCH)	113.4100	1.039	2	113.4100	1.080	2	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	113.5280	0.000	1	113.5280	0.000	1	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)2(CCCH)	116.3260	0.000	1	116.3260	0.000	1	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OSi)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OSi)(H)2	N(CC[6a]HH)2(CCCH)	115.2030	0.000	1	115.2030	0.000	1	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)(CCCH)(CH3)	115.2452	1.098	25	115.2452	1.205	25	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]HH)2(CCCH)	116.2045	0.329	2	116.2045	0.108	2	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)3	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)3	113.9410	0.000	1	113.9410	0.000	1	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CH3)2	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CH3)2	111.9630	0.000	1	111.9630	0.000	1	114.8517	3.100	42	114.7188	3.544	44	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:H-1:	C-4:C-4:C-4:	C(CCHH)(CHOO)(NCC)(H)	C(CCHN)(OC)2(H)	N(CC[6a]HH)2(CCCH)	C(CCHH)(CHOO)(NCC)(H)	C(CCHN)(OC)2(H)	N(CC[6a]HH)2(CCCH)	116.0900	0.000	1	116.0900	0.000	1	116.0900	0.000	1	116.0900	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:S-3:H-1:	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(COO)(F)2	N(CCCH)(SCO)(H)	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(COO)(F)2	N(CCCH)(SCO)(H)	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(COO)(H)2	N(CCCH)(NCH)(H)	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(COO)(H)2	N(CCCH)(NCH)(H)	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)2(NHS)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(SCO)(H)	C(CCHH)2(NHS)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(SCO)(H)	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)	110.6270	0.000	1	110.6270	0.000	1	110.6270	0.000	1	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(NHN)(H)2	N(CCCH)(NOO)(H)	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(NHN)(H)2	N(CCCH)(NOO)(H)	107.5470	0.000	1	107.5470	0.000	1	108.7030	2.673	2	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:	C(CHHN)2(NHN)(H)	C(CCHN)(NHN)(H)2	N(CCCH)(NOO)(H)	C(CHHN)2(NHN)(H)	C(CCHN)(NHN)(H)2	N(CCCH)(NOO)(H)	109.8590	0.000	1	109.8590	0.000	1	108.7030	2.673	2	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:S-3:H-1:	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C(CC[5]HN)(COO)(F)2	N(CC[5]CH)(SCO)(H)	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C(CC[5]HN)(COO)(F)2	N(CC[5]CH)(SCO)(H)	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:S-3:H-1:	C(C[6]C[6]2H)(CCFF)(NHS)(H)	C(CC[6]HN)(CNO)(F)2	N(CC[6]CH)(SCO)(H)	C(C[6]C[6]2H)(CCFF)(NHS)(H)	C(CC[6]HN)(CNO)(F)2	N(CC[6]CH)(SCO)(H)	110.8690	0.768	2	110.8690	0.590	2	110.8690	0.590	2	109.4662	3.212	9	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:Br-1:H-1:	S-4:C-4:H-1:	C(CBr2C)(CBrCH)(NHS)(H)	C(CCHN)(CNO)(Br)(H)	N(SC[6a]OO)(CCCH)(H)	C(CBr2C)(CBrCH)(NHS)(H)	C(CCHN)(CNO)(Br)(H)	N(SC[6a]OO)(CCCH)(H)	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:S-4:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	N(CCCH)(SCOO)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	N(CCCH)(SCOO)(H)	110.2555	0.039	2	110.2555	0.002	2	110.2555	0.002	2	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	N(SC[6a]OO)(CCCH)(H)	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	108.3445	0.528	2	108.3445	0.279	2	109.2012	5.740	13	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)2(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCC)(H)2	N(CCCH)2(H)	110.6720	0.000	1	110.6720	0.000	1	109.2012	5.740	13	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	108.2280	0.620	5	108.2280	0.385	5	109.2012	5.740	13	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)	109.6570	0.000	1	109.6570	0.000	1	109.2012	5.740	13	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)2(NCH)(H)	C(CCHN)(NCC)(H)2	N(CC[6a]HH)(CCCH)(H)	C(CHHN)2(NCH)(H)	C(CCHN)(NCC)(H)2	N(CC[6a]HH)(CCCH)(H)	110.3645	4.206	4	110.3645	17.690	4	109.2012	5.740	13	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C[3]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	C(CC[3]HN)(CCH)(H)2	N(SC[6a]OO)(CC[3]CH)(H)	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	C(CC[3]HN)(CCH)(H)2	N(SC[6a]OO)(CC[3]CH)(H)	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C(CC[5]HN)(COO)(H)2	N(CC[5]CH)(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C(CC[5]HN)(COO)(H)2	N(CC[5]CH)(CCCH)(H)	113.6585	1.578	2	113.6585	2.489	2	113.6585	2.489	2	110.0933	7.702	20	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:C-4:C-4:	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(COO)(F)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(COO)(F)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	112.7501	5.245	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	114.3467	0.431	3	114.3467	0.186	3	114.4106	0.146	5	112.7501	5.245	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	114.8070	0.000	1	114.8070	0.000	1	114.4106	0.146	5	112.7501	5.245	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HN)(CCHH)(NCC)(H)	C(CCHN)(COO)(H)2	N(CC[6a]HH)(CCCH)2	C(CC[6a]HN)(CCHH)(NCC)(H)	C(CCHN)(COO)(H)2	N(CC[6a]HH)(CCCH)2	114.2060	0.000	1	114.2060	0.000	1	114.4106	0.146	5	112.7501	5.245	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(NCC)(H)2	N(CCCH)3	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(NCC)(H)2	N(CCCH)3	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	112.7501	5.245	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCC)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCC)(H)2	N(SC[6a]OO)(CCCH)(CCHH)	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	112.7501	5.245	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	C(CC[5]HN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	C(CC[5]HN)(COO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	110.0800	0.728	3	110.0800	0.530	3	110.0800	0.530	3	112.7501	5.245	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:2:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	S-3:C-4:H-1:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OC)(H)	N(SC[6a]O)(CCCH)(H)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OC)(H)	N(SC[6a]O)(CCCH)(H)	113.6080	0.402	2	113.6080	0.161	2	113.6080	0.161	2	113.6080	0.161	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:S-3:H-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(CCCH)(SCO)(H)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(CCCH)(SCO)(H)	111.7140	0.000	1	111.7140	0.000	1	107.9087	10.967	3	107.9087	10.967	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:S-3:H-1:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(CCCH)(SCO)(H)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(CCCH)(SCO)(H)	106.0060	0.461	2	106.0060	0.213	2	107.9087	10.967	3	107.9087	10.967	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	S-4:C-4:H-1:	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	105.7910	0.000	1	105.7910	0.000	1	107.8410	8.405	2	107.8410	8.405	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	S-4:C-4:H-1:	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(CCH)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(CCH)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	109.8910	0.000	1	109.8910	0.000	1	107.8410	8.405	2	107.8410	8.405	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C(CC[5]HN)(COO)(OH)(H)	N(CC[6a]CH)(CC[5]CH)(CCHH)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C(CC[5]HN)(COO)(OH)(H)	N(CC[6a]CH)(CC[5]CH)(CCHH)	115.6620	0.000	1	115.6620	0.000	1	116.0860	0.360	2	116.0860	0.360	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:2:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C(CC[5]HN)(COO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C(CC[5]HN)(COO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	116.5100	0.000	1	116.5100	0.000	1	116.0860	0.360	2	116.0860	0.360	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:S-3:H-1:	C(C[6]C[6]2H)(CCCH)(NHS)(H)	C(CC[6]HN)(CCH)2(H)	N(CC[6]CH)(SCO)(H)	C(C[6]C[6]2H)(CCCH)(NHS)(H)	C(CC[6]HN)(CCH)2(H)	N(CC[6]CH)(SCO)(H)	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:3:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CCHN)(NHS)(H)	C(CCHN)(CCH)(NCC)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CCHN)(NHS)(H)	C(CCHN)(CCH)(NCC)(H)	N(SC[6a]OO)(CCCH)(H)	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:4:1:	4:2:1:	C-4:C-4:N-3:H-1:	C[6]-4:N-3:C-4:H-1:	C-4:O-2:H-1:	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	N(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	N(CCCH)(OH)(H)	111.5660	0.000	1	111.5660	0.000	1	111.5660	0.000	1	111.5660	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(NHS)(H)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	N(CCCH)(SCO)(H)	C(CCCH)(CF3)(NHS)(H)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	N(CCCH)(SCO)(H)	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C[3]-4:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(CH3)2	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	N(CCCH)(CH3)2	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	Si-4:C-4:H-1:H-1:	S-3:C-4:H-1:	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	N(SC[6a]O)(CCCH)(H)	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	N(SC[6a]O)(CCCH)(H)	113.5980	0.000	1	113.5980	0.000	1	112.1995	3.912	2	112.1995	3.912	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:C-4:N-3:H-1:	Si-4:C-4:H-1:H-1:	S-3:C-4:H-1:	C(CSiHH)(CCCH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	N(SC[6a]O)(CCCH)(H)	C(CSiHH)(CCCH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	N(SC[6a]O)(CCCH)(H)	110.8010	0.000	1	110.8010	0.000	1	112.1995	3.912	2	112.1995	3.912	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:	C(CCFH)(CHHO)(NHH)(H)	C(CCHH)(CCHN)(F)(H)	N(CCCH)(H)2	C(CCFH)(CHHO)(NHH)(H)	C(CCHH)(CCHN)(F)(H)	N(CCCH)(H)2	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	110.7267	14.626	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)2	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)2	111.4319	4.181	8	111.4319	17.485	8	111.2227	15.693	9	110.7267	14.626	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)2	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)2	109.5490	0.000	1	109.5490	0.000	1	111.2227	15.693	9	110.7267	14.626	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)2	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)2	107.2920	1.937	2	107.2920	3.754	2	107.2920	3.754	2	110.7267	14.626	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CNO)(H)	110.1765	1.248	2	110.1765	1.558	2	110.4576	0.712	5	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(COO)(H)	110.2460	0.270	2	110.2460	0.073	2	110.4576	0.712	5	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(COO)(H)	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(COO)(H)	111.4430	0.000	1	111.4430	0.000	1	110.4576	0.712	5	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:	C(CCHH)(CH3)(NHN)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(NCH)(H)	C(CCHH)(CH3)(NHN)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(NCH)(H)	109.8737	3.365	3	109.8737	11.320	3	109.8737	11.320	3	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(H)2	N(CCCH)(SCO)(H)	113.5180	0.000	1	113.5180	0.000	1	111.0314	7.535	7	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(SCO)(H)	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(SCO)(H)	113.2810	0.000	1	113.2810	0.000	1	111.0314	7.535	7	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CHHO)(H)2	N(CCCH)(SCO)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CHHO)(H)2	N(CCCH)(SCO)(H)	110.5450	0.000	1	110.5450	0.000	1	111.0314	7.535	7	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)2(NHS)(H)	C(CC[6a]CH)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CCHH)2(NHS)(H)	C(CC[6a]CH)(CCHN)(H)2	N(CCCH)(SCO)(H)	107.5030	0.000	1	107.5030	0.000	1	111.0314	7.535	7	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	114.5100	0.000	1	114.5100	0.000	1	111.0314	7.535	7	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)(H)	108.5070	0.000	1	108.5070	0.000	1	111.0314	7.535	7	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]HH)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(SCO)(H)	C(CC[6a]HH)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(SCO)(H)	109.3560	0.000	1	109.3560	0.000	1	111.0314	7.535	7	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:P-4:H-1:H-1:	C-4:S-3:H-1:	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(PO3)(H)2	N(CCCH)(SCO)(H)	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(PO3)(H)2	N(CCCH)(SCO)(H)	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(CC3)(NCH)(H)	C(N[5]C[5]2C)(CCHN)(H)2	N(CCCH)(CNO)(H)	C(CN[5]HH)(CC3)(NCH)(H)	C(N[5]C[5]2C)(CCHN)(H)2	N(CCCH)(CNO)(H)	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:N-3:H-1:	S-4:C-4:F-1:F-1:	C-4:S-3:H-1:	C(CCHN)(CFFS)(NHS)(H)	C(SC[6a]OO)(CCHN)(F)2	N(CCCH)(SCO)(H)	C(CCHN)(CFFS)(NHS)(H)	C(SC[6a]OO)(CCHN)(F)2	N(CCCH)(SCO)(H)	107.2910	0.535	2	107.2910	0.286	2	107.2910	0.286	2	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(SCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(SCO)(H)	112.9030	0.000	1	112.9030	0.000	1	112.9030	0.000	1	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6]HN)(H)2	N(CC[6]CH)(SCO)(H)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6]HN)(H)2	N(CC[6]CH)(SCO)(H)	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	110.4306	5.438	21	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:Cl-1:H-1:	S-4:C-4:H-1:	C(CClCH)(CH3)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	N(SC[6a]OO)(CCCH)(H)	C(CClCH)(CH3)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	N(SC[6a]OO)(CCCH)(H)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCHH)(H)	109.7150	0.000	1	109.7150	0.000	1	111.1210	5.599	25	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	110.6740	0.000	1	110.6740	0.000	1	111.1210	5.599	25	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)(H)	110.7615	2.629	11	110.7615	6.911	11	111.1210	5.599	25	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)2(H)	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)2(H)	109.3710	0.571	4	109.3710	0.326	4	111.1210	5.599	25	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)	110.7640	0.000	1	110.7640	0.000	1	111.1210	5.599	25	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCHH)(H)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCHH)(H)	113.0017	1.982	7	113.0017	3.926	7	111.1210	5.599	25	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(PO3)(H)	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(PO3)(H)	112.3350	0.000	1	112.3350	0.000	1	111.4433	5.598	3	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:	C(CCHH)2(NHP)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(PO3)(H)	C(CCHH)2(NHP)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(PO3)(H)	110.9975	3.163	2	110.9975	10.004	2	111.4433	5.598	3	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	N(PC[6a]2O)(CCCH)(H)	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	N(PC[6a]2O)(CCCH)(H)	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	110.8945	0.163	2	110.8945	0.027	2	109.5104	1.922	12	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)(H)	109.2145	0.303	2	109.2145	0.092	2	109.5104	1.922	12	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CHHN)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CHHN)(NHS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	107.7745	1.166	2	107.7745	1.360	2	109.5104	1.922	12	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	109.7622	1.708	4	109.7622	2.916	4	109.5104	1.922	12	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)2(NHS)(H)	C(CCHN)(CHHO)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CCHH)2(NHS)(H)	C(CCHN)(CHHO)(H)2	N(SC[6a]OO)(CCCH)(H)	109.6545	0.767	2	109.6545	0.589	2	109.5104	1.922	12	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)	108.3788	0.475	5	108.3788	0.226	5	108.5640	0.198	9	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	N(CCCH)2(H)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	N(CCCH)2(H)	108.7987	0.387	3	108.7987	0.149	3	108.5640	0.198	9	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)	108.7860	0.000	1	108.7860	0.000	1	108.5640	0.198	9	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	N(SC[6a]OO)(CCCH)(H)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CCHH)(H)	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(CC[5]HN)(CH3)(H)2	N(SC[6a]OO)(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(CC[5]HN)(CH3)(H)2	N(SC[6a]OO)(CC[5]CH)(H)	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	110.2356	4.238	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(OH)	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(OH)	108.4200	0.000	1	108.4200	0.000	1	110.7010	10.566	3	110.7010	10.566	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:	C(CCHH)2(NCO)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(OH)	C(CCHH)2(NCO)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(OH)	114.4230	0.000	1	114.4230	0.000	1	110.7010	10.566	3	110.7010	10.566	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:	C(CCHH)2(NCO)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(OH)	C(CCHH)2(NCO)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(OH)	109.2600	0.000	1	109.2600	0.000	1	110.7010	10.566	3	110.7010	10.566	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:S-3:	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(SCO)	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(SCO)	112.1270	1.283	2	112.1270	1.645	2	112.4773	1.191	3	112.4773	1.191	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:3:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:S-3:	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(SCO)	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(SCO)	113.1780	0.000	1	113.1780	0.000	1	112.4773	1.191	3	112.4773	1.191	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	S-4:C-4:S-4:	C(CCFH)(CH3)(NSS)(H)	C(CCHH)(CCHN)(F)(H)	N(SC[6a]OO)(CCCH)(SO3)	C(CCFH)(CH3)(NSS)(H)	C(CCHH)(CCHN)(F)(H)	N(SC[6a]OO)(CCCH)(SO3)	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCCH)(CCHH)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(CH3)	C(CCCH)(CCHH)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(CH3)	113.4595	0.224	2	113.4595	0.050	2	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(CHHO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(CHHO)(H)2	N(CC[6a]CH)(CC[6a]HH)(CCCH)	109.5370	0.000	1	109.5370	0.000	1	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]HH)2(CCCH)	114.5580	0.000	1	114.5580	0.000	1	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	115.0310	0.300	3	115.0310	0.090	3	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)2	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)2	110.2300	0.000	1	110.2300	0.000	1	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCHH)	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCHH)	112.9500	0.000	1	112.9500	0.000	1	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)2(CCHH)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)2(CCHH)	112.5585	2.245	4	112.5585	5.039	4	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]HH)2(CCCH)	110.6160	1.143	2	110.6160	1.306	2	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]2C)(CCHN)(H)2	N(CCCH)(CH3)2	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]2C)(CCHN)(H)2	N(CCCH)(CH3)2	111.6320	0.000	1	111.6320	0.000	1	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CH3)	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CH3)	109.7215	0.123	4	109.7215	0.015	4	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CHHN)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CHHN)2	115.8270	0.000	2	115.8270	0.000	2	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]HH)(CCCH)(CH3)	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]HH)(CCCH)(CH3)	111.1950	0.000	2	111.1950	0.000	2	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CHOO)(NCC)(H)	C(CC[6]HO)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	C(CCHH)(CHOO)(NCC)(H)	C(CC[6]HO)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)	109.7140	0.000	1	109.7140	0.000	1	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CHHS)2	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CHHS)2	111.9800	2.956	2	111.9800	8.736	2	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)2(NCC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CHHP)2	C(CCHH)2(NCC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CHHP)2	112.1298	2.352	4	112.1298	5.531	4	112.1777	5.046	31	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)	106.8530	0.000	1	106.8530	0.000	1	106.8530	0.000	1	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHHP)(NCC)(H)	C(PC[6a]2Ru)(CCHN)(H)2	N(CCCH)(CH3)2	C(CC[6a]HH)(CHHP)(NCC)(H)	C(PC[6a]2Ru)(CCHN)(H)2	N(CCCH)(CH3)2	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[3]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C(CC[3]HN)(CCHH)(H)2	N(CC[6a]HH)2(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C(CC[3]HN)(CCHH)(H)2	N(CC[6a]HH)2(CC[3]CH)	110.8247	0.601	3	110.8247	0.361	3	110.8247	0.361	3	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CH3)2	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CH3)2	111.6893	1.223	9	111.6893	1.495	9	111.6893	1.495	9	111.9178	4.454	46	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(H)2	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(H)2	111.5430	2.415	2	111.5430	5.835	2	111.5430	5.835	2	111.5430	5.835	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-2:H-1:	C-4:S-3:H-1:	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(CN)(H)	N(CCCH)(SCO)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(CN)(H)	N(CCCH)(SCO)(H)	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(CCHH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(CCHH)(H)	111.4400	0.000	1	111.4400	0.000	1	110.7637	1.697	3	110.7712	1.715	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]HH)(CCCH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]HH)(CCCH)(H)	109.2620	0.000	1	109.2620	0.000	1	110.7637	1.697	3	110.7712	1.715	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(CCHH)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(CCHH)(H)	111.5890	0.000	1	111.5890	0.000	1	110.7637	1.697	3	110.7712	1.715	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(SCOO)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)(SCOO)(H)	112.3420	1.039	2	112.3420	1.080	2	112.3420	1.080	2	110.7712	1.715	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CHHS)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CHHS)(OH)(H)	N(SC[6a]OO)(CCCH)(H)	111.5190	0.000	1	111.5190	0.000	1	111.5190	0.000	1	110.7712	1.715	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	S-4:C-4:H-1:	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(SS)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(SS)(H)	N(SC[6a]OO)(CCCH)(H)	109.7095	0.919	4	109.7095	0.844	4	109.9978	1.048	5	110.7712	1.715	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	S-4:C-4:H-1:	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	N(SC[6a]OO)(CCCH)(H)	111.1510	0.000	1	111.1510	0.000	1	109.9978	1.048	5	110.7712	1.715	11	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCFH)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CCHH)(CCHO)(NCC)(H)	C(CCFH)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	107.5930	0.000	1	107.5930	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	109.6740	0.000	1	109.6740	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]HH)2(CCCH)	106.4285	0.531	2	106.4285	0.282	2	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	115.1790	0.000	1	115.1790	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(CH3)(NCC)(H)	C(CSeCC)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CCHO)(CH3)(NCC)(H)	C(CSeCC)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	105.4110	0.000	1	105.4110	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	N(CC[6a]HH)2(CCCH)	C(CCHO)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	N(CC[6a]HH)2(CCCH)	106.7820	0.000	1	106.7820	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(OC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(OC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	110.7560	0.000	1	110.7560	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CH3)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CH3)(OH)(H)	N(CC[6a]HH)2(CCCH)	107.1770	0.000	1	107.1770	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	113.3610	0.000	1	113.3610	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	N(CC[6a]HH)2(CCCH)	107.7800	0.000	1	107.7800	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	111.5340	0.000	1	111.5340	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)	115.4230	0.000	1	115.4230	0.000	1	109.5021	11.936	13	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:P-4:O-2:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CHOP)(NCC)(H)	C(CCHN)(PO3)(OH)(H)	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CHOP)(NCC)(H)	C(CCHN)(PO3)(OH)(H)	N(CC[6a]HH)2(CCCH)	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	109.9041	13.280	14	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:2:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-2:O-2:	S-4:C-4:H-1:	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	N(SC[6a]OO)(CCCH)(H)	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	S-3:C-4:H-1:	C(CCCH)2(NHS)(H)	C(CCHN)(CHHS)(COO)(H)	N(SC[6a]O)(CCCH)(H)	C(CCCH)2(NHS)(H)	C(CCHN)(CHHS)(COO)(H)	N(SC[6a]O)(CCCH)(H)	110.7600	0.000	1	110.7600	0.000	1	109.5675	2.844	2	109.5675	2.844	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	S-3:C-4:H-1:	C(CSiHH)(CCCH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(H)	N(SC[6a]O)(CCCH)(H)	C(CSiHH)(CCCH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(H)	N(SC[6a]O)(CCCH)(H)	108.3750	0.000	1	108.3750	0.000	1	109.5675	2.844	2	109.5675	2.844	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(CHHN)(NHN)(H)	N(CCCH)(NOO)(H)	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(CHHN)(NHN)(H)	N(CCCH)(NOO)(H)	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	112.5187	1.206	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-3:H-1:	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	N(CCCH)(SCO)(H)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	N(CCCH)(SCO)(H)	113.4295	0.083	2	113.4295	0.007	2	113.2067	0.078	4	112.5187	1.206	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-3:H-1:	C(CCHN)(CFFS)(NHS)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	N(CCCH)(SCO)(H)	C(CCHN)(CFFS)(NHS)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	N(CCCH)(SCO)(H)	112.9840	0.168	2	112.9840	0.028	2	113.2067	0.078	4	112.5187	1.206	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:S-3:H-1:	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	N(CC[5]CH)(SCO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	N(CC[5]CH)(SCO)(H)	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	112.5187	1.206	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:S-4:H-1:	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	N(CC[6]CH)(SCOO)(H)	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	N(CC[6]CH)(SCOO)(H)	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(CH3)(NCH)(H)	N(CC[6a]HH)(CCCH)(OH)	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(CH3)(NCH)(H)	N(CC[6a]HH)(CCCH)(OH)	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CCCH)(CCHH)(NCC)(H)	C(CCHN)(CCHO)(COO)(H)	N(CC[6a]CH)(CCCH)(CH3)	C(CCCH)(CCHH)(NCC)(H)	C(CCHN)(CCHO)(COO)(H)	N(CC[6a]CH)(CCCH)(CH3)	108.5675	0.452	2	108.5675	0.204	2	113.0857	15.897	6	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CCCH)2(NCC)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	N(CC[5,5,6]HH)(CC[6a]HH)(CCCH)	C(CCCH)2(NCC)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	N(CC[5,5,6]HH)(CC[6a]HH)(CCCH)	113.5125	2.145	2	113.5125	4.600	2	113.0857	15.897	6	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:	C(CC[6a]HO)(CCCH)(NCC)(H)	C(CCHN)(CH3)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CC[6a]HO)(CCCH)(NCC)(H)	C(CCHN)(CH3)(COO)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	117.1770	0.103	2	117.1770	0.011	2	113.0857	15.897	6	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	114.7950	0.000	1	114.7950	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]HH)2(CCCH)	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]HH)2(CCCH)	113.1600	0.000	1	113.1600	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	113.0300	0.000	1	113.0300	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	111.5000	0.000	1	111.5000	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	115.1880	0.000	1	115.1880	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(CH3)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]HH)2(CCCH)	C(CCHN)(CH3)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]HH)2(CCCH)	112.0080	0.000	1	112.0080	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(CHHO)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]HH)2(CCCH)	C(CCHN)(CHHO)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	N(CC[6a]HH)2(CCCH)	111.1030	0.000	1	111.1030	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(NCC)(H)	N(CC[6a]HH)2(CCCH)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(NCC)(H)	N(CC[6a]HH)2(CCCH)	115.5580	0.000	1	115.5580	0.000	1	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHN)(CFFS)(NHS)(H)	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHN)(CFFS)(NHS)(H)	N(CC[6a]HH)2(CCCH)	112.6480	4.105	2	112.6480	16.855	2	113.1638	4.250	10	113.1345	7.850	16	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:3:3:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	S-4:C-4:H-1:	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	N(SC[6a]OO)(CCCH)(H)	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	N(SC[6a]OO)(CCCH)(H)	112.6030	0.404	2	112.6030	0.164	2	112.6030	0.164	2	112.6030	0.164	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:Cl-1:	S-3:C-4:H-1:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(CH3)2(Cl)	N(SC[6a]O)(CCCH)(H)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(CH3)2(Cl)	N(SC[6a]O)(CCCH)(H)	107.7770	0.185	2	107.7770	0.034	2	107.7770	0.034	2	109.0662	2.305	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-3:C-4:H-1:	C(CCCH)2(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]O)(CCCH)(H)	C(CCCH)2(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]O)(CCCH)(H)	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	109.0662	2.305	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:S-4:C-4:H-1:	S-3:C-4:H-1:	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(SCOO)(CH3)(H)	N(SC[6a]O)(CCCH)(H)	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(SCOO)(CH3)(H)	N(SC[6a]O)(CCCH)(H)	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	109.0662	2.305	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)2	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)2	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:Cl-1:	C-4:S-3:H-1:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(CH3)2(Cl)	N(CCCH)(SCO)(H)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(CH3)2(Cl)	N(CCCH)(SCO)(H)	116.0535	0.357	2	116.0535	0.128	2	116.0535	0.128	2	112.4163	17.716	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:	C(CC[6a]CH)(CCCH)(NHN)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(NCH)(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(NCH)(H)	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	112.4163	17.716	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:	C(CCCH)(CH3)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CCCH)(SCO)(H)	C(CCCH)(CH3)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	N(CCCH)(SCO)(H)	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	112.4163	17.716	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCHH)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCHH)(H)	110.9335	0.183	2	110.9335	0.034	2	112.6990	9.368	3	111.9167	3.450	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CC[6a]HN)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)	116.2300	0.000	1	116.2300	0.000	1	112.6990	9.368	3	111.9167	3.450	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(CCCO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCCO)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	108.2880	0.000	1	108.2880	0.000	1	111.6560	2.096	9	111.9167	3.450	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	112.4325	0.705	4	112.4325	0.497	4	111.6560	2.096	9	111.9167	3.450	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	111.4390	1.058	2	111.4390	1.119	2	111.6560	2.096	9	111.9167	3.450	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CN[6]HH)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	C(CN[6]HH)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(H)	111.8190	0.000	1	111.8190	0.000	1	111.6560	2.096	9	111.9167	3.450	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	N(SC[6a]OO)(CCCH)(H)	112.1890	0.000	1	112.1890	0.000	1	111.6560	2.096	9	111.9167	3.450	12	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:	C(CCCH)(CCHH)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]CH)(CCCH)(OH)	C(CCCH)(CCHH)(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]CH)(CCCH)(OH)	116.7890	0.000	1	116.7890	0.000	1	113.7033	19.395	3	113.7033	19.395	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:	C(CCCH)2(NCO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]CH)(CCCH)(OH)	C(CCCH)2(NCO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]CH)(CCCH)(OH)	115.6610	0.000	1	115.6610	0.000	1	113.7033	19.395	3	113.7033	19.395	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:2:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:	C(CCCH)2(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]CH)(CCCH)(OH)	C(CCCH)2(NCO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]CH)(CCCH)(OH)	108.6600	0.000	1	108.6600	0.000	1	113.7033	19.395	3	113.7033	19.395	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCHH)(CH3)	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCHH)(CH3)	115.9810	0.000	1	115.9810	0.000	1	113.5600	4.411	3	111.9455	7.471	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(CCCH)2(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[5,5,6]HH)(CC[6a]HH)(CCCH)	C(CCCH)2(NCC)(H)	C(CCHN)(CH3)2(H)	N(CC[5,5,6]HH)(CC[6a]HH)(CCCH)	112.3495	0.176	2	112.3495	0.031	2	113.5600	4.411	3	111.9455	7.471	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(CCHH)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)(CCHH)	112.2780	0.000	1	112.2780	0.000	1	112.2780	0.000	1	111.9455	7.471	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCCH)(H)	N(CC[6a]HH)2(CCCH)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCCH)(H)	N(CC[6a]HH)2(CCCH)	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	111.9455	7.471	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[3]-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C(CC[3]HN)(CH3)2(H)	N(CC[6a]HH)2(CC[3]CH)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C(CC[3]HN)(CH3)2(H)	N(CC[6a]HH)2(CC[3]CH)	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.9455	7.471	6	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:2:	4:4:2:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	C(CC[6]HN)(CH3)2(OH)	N(CC[6a]HH)(CC[6]CH)(OH)	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	C(CC[6]HN)(CH3)2(OH)	N(CC[6a]HH)(CC[6]CH)(OH)	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:3:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:S-3:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(SCO)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)2(COO)	N(CCCH)(SCO)(H)	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	3:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]O)(CCCH)(H)	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]O)(CCCH)(H)	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNS)(H)	110.8640	0.000	1	110.8640	0.000	1	110.9940	0.034	2	110.6670	12.565	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(CN[5]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNO)(H)	C(CN[5]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)3	N(CCCH)(CNO)(H)	111.1240	0.000	1	111.1240	0.000	1	110.9940	0.034	2	110.6670	12.565	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)(H)	107.5690	0.321	2	107.5690	0.103	2	107.5690	0.103	2	110.6670	12.565	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:3:1:	Si-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:H-1:	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CSiHN)(CH3)3	N(CSiCH)(SCO)(H)	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CSiHN)(CH3)3	N(CSiCH)(SCO)(H)	116.2090	0.000	1	116.2090	0.000	1	116.2090	0.000	1	110.6670	12.565	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCOO)(H)	110.7060	0.308	2	110.7060	0.095	2	110.7060	0.095	2	111.2088	0.531	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	N(PC[6a]2O)(CCCH)(H)	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.2088	0.531	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]OO)(CCCH)(H)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]OO)(CCCH)(H)	112.4330	0.000	1	112.4330	0.000	1	111.7500	0.933	2	111.2088	0.531	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:H-1:	C(CHHP)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]OO)(CCCH)(H)	C(CHHP)(CC3)(NHS)(H)	C(CCHN)(CH3)3	N(SC[6a]OO)(CCCH)(H)	111.0670	0.000	1	111.0670	0.000	1	111.7500	0.933	2	111.2088	0.531	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:2:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	N(CCHP)(CC3)(OC)	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	N(CCHP)(CC3)(OC)	111.7871	0.441	17	111.7871	0.195	17	111.7871	0.195	17	111.7871	0.195	17	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:4:	4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	N(CC[6a]HH)2(CCCH)	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	N(CC[6a]HH)2(CCCH)	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	N(CC3)(SCO)(H)	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	N(CC3)(SCO)(H)	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	110.2915	23.936	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(H)3	N(CC3)(SCO)(H)	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(H)3	N(CC3)(SCO)(H)	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	110.2915	23.936	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:2:	4:4:1:1:	4:1:1:	C-4:C-4:N-3:C-2:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CC[6]HH)2(NHH)(CN)	C(C[6]C[6,6a]2H)(CCCN)(H)2	N(CC3)(H)2	C(CC[6]HH)2(NHH)(CN)	C(C[6]C[6,6a]2H)(CCCN)(H)2	N(CC3)(H)2	107.5145	0.233	2	107.5145	0.054	2	107.5145	0.054	2	107.5145	0.054	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]HH)(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]HH)(CC3)(H)	110.1310	0.000	1	110.1310	0.000	1	112.1477	10.383	3	112.1477	10.383	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]HH)(CC3)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]HH)(CC3)(H)	113.1560	3.830	2	113.1560	14.667	2	112.1477	10.383	3	112.1477	10.383	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	3:4:1:1:	4:4:4:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHH)(COO)(NCC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]HH)2(CC3)	C(CC[6a]HH)(CCHH)(COO)(NCC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]HH)2(CC3)	108.8200	0.000	2	108.8200	0.000	2	108.8200	0.000	2	108.8200	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	3:4:3:1:	4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:	C(CC[6a]CH)(CF3)(COO)(NHH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC3)(H)2	C(CC[6a]CH)(CF3)(COO)(NHH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC3)(H)2	110.8875	0.309	2	110.8875	0.095	2	110.8875	0.095	2	110.8875	0.095	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	3:4:3:1:	4:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:	C(CC[6a]CH)(CH3)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC[6a]HH)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	N(CC[6a]HH)(CC3)(H)	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	110.1650	4.671	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	3:4:3:1:	4:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	N(CC[6a]HH)(CC3)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	N(CC[6a]HH)(CC3)(H)	110.6825	2.781	2	110.6825	7.734	2	110.6825	7.734	2	110.1650	4.671	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	3:4:4:1:	4:4:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CC[6a]HH)(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	N(CC[6a]HH)(CC3)(H)	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:	C(CH3)2(COO)(NHN)	C(CCCN)(H)3	N(NC[6a]H)(CC3)(H)	C(CH3)2(COO)(NHN)	C(CCCN)(H)3	N(NC[6a]H)(CC3)(H)	108.1835	2.036	2	108.1835	4.144	2	108.1835	4.144	2	108.1835	4.144	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:	C(CCHH)(CF3)(COO)(NHH)	C(CCCN)(F)3	N(CC3)(H)2	C(CCHH)(CF3)(COO)(NHH)	C(CCCN)(F)3	N(CC3)(H)2	108.8540	0.000	1	108.8540	0.000	1	109.6103	2.952	3	110.1666	3.554	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:	C(CC[6a]CH)(CF3)(COO)(NHH)	C(CCCN)(F)3	N(CC3)(H)2	C(CC[6a]CH)(CF3)(COO)(NHH)	C(CCCN)(F)3	N(CC3)(H)2	109.9885	2.246	2	109.9885	5.047	2	109.6103	2.952	3	110.1666	3.554	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CCCH)(CH3)(CNO)(NHH)	C(CCCN)(H)3	N(CC3)(H)2	C(CCCH)(CH3)(CNO)(NHH)	C(CCCN)(H)3	N(CC3)(H)2	109.2550	0.000	1	109.2550	0.000	1	110.5004	4.372	5	110.1666	3.554	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CH3)2(CNO)(NHH)	C(CCCN)(H)3	N(CC3)(H)2	C(CH3)2(CNO)(NHH)	C(CCCN)(H)3	N(CC3)(H)2	110.8118	2.277	4	110.8118	5.184	4	110.5004	4.372	5	110.1666	3.554	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:2:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:	C(CH3)2(CCN)(NHO)	C(CCCN)(H)3	N(CC3)(OC)(H)	C(CH3)2(CCN)(NHO)	C(CCCN)(H)3	N(CC3)(OC)(H)	108.5180	6.088	2	108.5180	37.066	2	108.5180	37.066	2	108.5180	37.066	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CHHN)(CF3)(CCH)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	C(CHHN)(CF3)(CCH)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	106.3290	0.711	2	106.3290	0.506	2	106.3290	0.506	2	108.1557	3.743	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	107.9453	2.119	3	107.9453	4.491	3	108.7647	3.359	6	108.1557	3.743	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	109.1325	1.600	2	109.1325	2.561	2	108.7647	3.359	6	108.1557	3.743	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	110.4870	0.000	1	110.4870	0.000	1	108.7647	3.359	6	108.1557	3.743	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CC[6a]CH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	110.6100	0.000	1	110.6100	0.000	1	109.1962	1.390	5	109.6353	8.492	31	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	108.8427	1.010	4	108.8427	1.021	4	109.1962	1.390	5	109.6353	8.492	31	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	N(SCOO)(CC3)(H)	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	N(SCOO)(CC3)(H)	109.7940	5.749	2	109.7940	33.048	2	109.4831	10.025	24	109.6353	8.492	31	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	109.7352	2.986	14	109.7352	8.918	14	109.4831	10.025	24	109.6353	8.492	31	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)2(COO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CH3)2(COO)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	108.9641	3.346	8	108.9641	11.194	8	109.4831	10.025	24	109.6353	8.492	31	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C[5]-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	C(CC[5]CN)(H)3	N(SC[6a]OO)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	C(CC[5]CN)(H)3	N(SC[6a]OO)(CC[5]CC)(H)	112.5960	0.000	1	112.5960	0.000	1	112.5595	0.003	2	109.6353	8.492	31	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:1:	C[5]-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	C(CC[5]CN)(H)3	N(SC[6a]OO)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	C(CC[5]CN)(H)3	N(SC[6a]OO)(CC[5]CC)(H)	112.5230	0.000	1	112.5230	0.000	1	112.5595	0.003	2	109.6353	8.492	31	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CH3)2(COO)(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(OC)	C(CH3)2(COO)(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(OC)	112.7575	3.525	2	112.7575	12.425	2	112.7575	12.425	2	111.0505	8.367	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:S-2:	C(CH3)2(CHH)(NPS)	C(CCCN)(H)3	N(PC[6a]NO)(CC3)(SS)	C(CH3)2(CHH)(NPS)	C(CCCN)(H)3	N(PC[6a]NO)(CC3)(SS)	109.3435	1.010	2	109.3435	1.021	2	109.3435	1.021	2	111.0505	8.367	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:	C(CH3)2(COO)(NCS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(CH3)	C(CH3)2(COO)(NCS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(CH3)	110.9390	2.913	2	110.9390	8.487	2	110.9390	8.487	2	110.9390	8.487	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:2:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:	C(CCCH)(CHHO)(COO)(NHH)	C(CCCN)(OC)(H)2	N(CC3)(H)2	C(CCCH)(CHHO)(COO)(NHH)	C(CCCN)(OC)(H)2	N(CC3)(H)2	109.2995	0.121	2	109.2995	0.015	2	109.2995	0.015	2	109.2995	0.015	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:3:1:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(CF3)(COO)(NHH)	C(CCCN)(CCH)(H)2	N(CC3)(H)2	C(CCHH)(CF3)(COO)(NHH)	C(CCCN)(CCH)(H)2	N(CC3)(H)2	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:3:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)2(CCH)(NHS)	C(CCCN)(CCH)(H)2	N(CC3)(SCO)(H)	C(CCHH)2(CCH)(NHS)	C(CCCN)(CCH)(H)2	N(CC3)(SCO)(H)	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	110.5473	8.846	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:3:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:	C(CHHN)(CF3)(CCH)(NHS)	C(CCCN)(NOO)(H)2	N(CC3)(SCO)(H)	C(CHHN)(CF3)(CCH)(NHS)	C(CCCN)(NOO)(H)2	N(CC3)(SCO)(H)	112.2470	0.600	2	112.2470	0.360	2	112.2470	0.360	2	110.5473	8.846	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:3:1:1:	4:4:4:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(CCHH)(COO)(NCC)	C(CCCN)(CCH)(H)2	N(CC[6a]HH)2(CC3)	C(CC[6a]HH)(CCHH)(COO)(NCC)	C(CCCN)(CCH)(H)2	N(CC[6a]HH)2(CC3)	108.9200	0.000	2	108.9200	0.000	2	108.9200	0.000	2	108.9200	0.000	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)2(CCH)(NHS)	C(CCCN)(CCHH)(H)2	N(CC3)(SCO)(H)	C(CCHH)2(CCH)(NHS)	C(CCCN)(CCHH)(H)2	N(CC3)(SCO)(H)	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	106.9205	0.275	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:N-3:	C-4:Si-4:H-1:H-1:	C-4:C-3:H-1:	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(SiC3)(H)2	N(CC3)(CCO)(H)	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(SiC3)(H)2	N(CC3)(CCO)(H)	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	106.9205	0.275	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:4:3:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:	C(CCCH)(CHHO)(COO)(NHH)	C(CCCN)(CH3)(CCH)(H)	N(CC3)(H)2	C(CCCH)(CHHO)(COO)(NHH)	C(CCCN)(CH3)(CCH)(H)	N(CC3)(H)2	110.0110	0.460	2	110.0110	0.211	2	110.0110	0.211	2	110.0110	0.211	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:4:4:1:	4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:	C(CCCH)(CH3)(CNO)(NHH)	C(CCCN)(CH3)2(H)	N(CC3)(H)2	C(CCCH)(CH3)(CNO)(NHH)	C(CCCN)(CH3)2(H)	N(CC3)(H)2	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	2:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	O-2:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CHHO)3(NHS)	C(OC[6a])(CCCN)(H)2	N(SC[6a]OO)(CC3)(H)	C(CHHO)3(NHS)	C(OC[6a])(CCCN)(H)2	N(SC[6a]OO)(CC3)(H)	109.8953	3.067	3	109.8953	9.405	3	109.8953	9.405	3	109.8953	9.405	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	3:4:2:1:	4:2:1:	C-4:C-4:C-4:N-3:	C[5a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	N(CC3)(OH)(H)	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	N(CC3)(OH)(H)	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	3:4:4:1:	4:3:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:S-3:H-1:	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	N(CC3)(SCO)(H)	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	N(CC3)(SCO)(H)	116.3890	0.000	1	116.3890	0.000	1	116.3890	0.000	1	116.3890	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	2:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[6a])(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[6a])(CC3)(H)	108.5990	3.568	3	108.5990	12.732	3	108.5990	12.732	3	108.5990	12.732	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]O)(CC3)(H)	108.6840	1.426	3	108.6840	2.035	3	108.9832	7.409	9	108.9942	5.802	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]C)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]C)(CC3)(H)	109.3473	4.157	3	109.3473	17.277	3	108.9832	7.409	9	108.9942	5.802	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]N)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]N)(CC3)(H)	108.9183	3.160	3	108.9183	9.984	3	108.9832	7.409	9	108.9942	5.802	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-3:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]N)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]N)(CC3)(H)	109.0107	2.095	6	109.0107	4.390	6	109.0107	4.390	6	108.9942	5.802	15	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(CH3)2(NHH)	C(CCCN)(H)3	N(CC3)(H)2	C(CCHH)(CH3)2(NHH)	C(CCCN)(H)3	N(CC3)(H)2	106.1500	0.421	2	106.1500	0.178	2	107.2768	0.824	10	107.2768	0.824	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CH3)3(NHH)	C(CCCN)(H)3	N(CC3)(H)2	C(CH3)3(NHH)	C(CCCN)(H)3	N(CC3)(H)2	107.5980	0.773	6	107.5980	0.597	6	107.2768	0.824	10	107.2768	0.824	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(CCCN)(H)3	N(CC3)(H)2	C(CHHN)2(CH3)(NHH)	C(CCCN)(H)3	N(CC3)(H)2	107.4400	1.021	2	107.4400	1.043	2	107.2768	0.824	10	107.2768	0.824	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:2:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:O-2:H-1:	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(CCCN)(F)3	N(CC3)(OH)(H)	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(CCCN)(F)3	N(CC3)(OH)(H)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	108.5615	12.306	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:2:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(CCCN)(H)3	N(CC3)(OH)(H)	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(CCCN)(H)3	N(CC3)(OH)(H)	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	108.5615	12.306	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	105.0040	0.615	2	105.0040	0.378	2	104.8173	0.783	4	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	105.5870	0.000	1	105.5870	0.000	1	104.8173	0.783	4	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	N(CC3)(SCO)(H)	103.6740	0.000	1	103.6740	0.000	1	104.8173	0.783	4	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	107.5410	3.175	2	107.5410	10.080	2	108.6679	5.355	14	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CCO)(H)	108.0687	1.786	3	108.0687	3.191	3	108.6679	5.355	14	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC3)(CNO)(H)	109.1180	2.442	9	109.1180	5.965	9	108.6679	5.355	14	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:	C(CH3)3(NHN)	C(CCCN)(H)3	N(CC3)(NCH)(H)	C(CH3)3(NHN)	C(CCCN)(H)3	N(CC3)(NCH)(H)	108.6043	3.874	3	108.6043	15.009	3	109.1538	18.463	9	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:	C(CH3)3(NHN)	C(CCCN)(H)3	N(CC3)(NPP)(H)	C(CH3)3(NHN)	C(CCCN)(H)3	N(CC3)(NPP)(H)	109.4285	4.823	6	109.4285	23.265	6	109.1538	18.463	9	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	109.4060	0.000	1	109.4060	0.000	1	110.8884	7.407	8	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	113.0175	0.004	2	113.0175	0.000	2	110.8884	7.407	8	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	113.6120	0.000	1	113.6120	0.000	1	110.8884	7.407	8	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CCCN)(H)3	N(CC3)(SCO)(H)	110.2810	0.000	1	110.2810	0.000	1	110.8884	7.407	8	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(CC3)(SCN)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(CC3)(SCN)(H)	109.2577	3.523	3	109.2577	12.412	3	110.8884	7.407	8	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CH3)2(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CNS)(H)	C(C[6]C[6]2H)(CH3)2(NCH)	C(CC[6]CN)(H)3	N(CC[6]CC)(CNS)(H)	107.7730	2.568	2	107.7730	6.596	2	107.7730	6.596	2	108.8015	10.554	37	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:3:3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CCO)(CNO)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC3)(CCO)(CNO)	108.8373	0.367	3	108.8373	0.135	3	108.8373	0.135	3	108.8373	0.135	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:Cl-1:H-1:H-1:	S-4:C-4:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(Cl)(H)2	N(SC[6a]OO)(CC3)(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(Cl)(H)2	N(SC[6a]OO)(CC3)(H)	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	109.9624	2.474	32	109.9624	6.119	32	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	109.2757	2.855	89	109.2757	8.154	89	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5]HH)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5]HH)(CC3)(H)	109.3763	3.500	6	109.3763	12.252	6	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]HH)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[5a]HH)(CC3)(H)	109.5240	2.743	9	109.5240	7.522	9	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	108.8007	5.892	6	108.8007	34.713	6	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CIrCH)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CIrCH)(CC3)(H)	109.2270	2.547	3	109.2270	6.487	3	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	N(CNiNS)(CC3)(H)	C(CH3)3(NCH)	C(CCCN)(H)3	N(CNiNS)(CC3)(H)	108.7380	3.706	3	108.7380	13.734	3	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[5]HH)(CC3)(H)	C(CHHN)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[5]HH)(CC3)(H)	114.4525	1.191	2	114.4525	1.420	2	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	C(CHHN)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	114.2060	0.000	1	114.2060	0.000	1	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	N(CCHH)(CC3)(H)	111.1185	2.136	2	111.1185	4.563	2	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	C(CHHO)2(CH3)(NCH)	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)	110.7090	0.000	1	110.7090	0.000	1	109.5394	8.775	154	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]3)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]3)(CC3)(H)	108.7813	2.640	3	108.7813	6.969	3	108.9149	3.884	33	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]CP)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PC[6a]CP)(CC3)(H)	109.0723	1.943	3	109.0723	3.773	3	108.9149	3.884	33	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNNO)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNNO)(CC3)(H)	108.9895	1.954	12	108.9895	3.818	12	108.9149	3.884	33	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	C(CCCN)(H)3	N(PNOO)(CC3)(H)	108.8505	2.079	15	108.8505	4.324	15	108.9149	3.884	33	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CH3)2(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CCHH)(CH3)2(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	108.9783	3.542	4	108.9783	12.546	4	109.0705	10.577	22	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	112.1420	0.000	1	112.1420	0.000	1	109.0705	10.577	22	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SCNN)(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SCNN)(CC3)(H)	109.1772	4.198	6	109.1772	17.627	6	109.0705	10.577	22	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[3x6]OO)(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[3x6]OO)(CC3)(H)	108.7777	3.924	3	108.7777	15.396	3	109.0705	10.577	22	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	108.6682	2.742	6	108.6682	7.517	6	109.0705	10.577	22	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(CHHS)(CH3)2(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	C(CHHS)(CH3)2(NHS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)(H)	109.0455	4.149	2	109.0455	17.211	2	109.0705	10.577	22	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:P-4:N-3:	C-4:F-1:F-1:F-1:	S-4:C-4:H-1:	C(CF3)2(PO3)(NHS)	C(CCNP)(F)3	N(SC[6a]OO)(CCCP)(H)	C(CF3)2(PO3)(NHS)	C(CCNP)(F)3	N(SC[6a]OO)(CCCP)(H)	111.9875	3.835	2	111.9875	14.704	2	111.9875	14.704	2	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C(CC[6]CN)(H)3	N(SC[6a]OO)(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C(CC[6]CN)(H)3	N(SC[6a]OO)(CC[6]CC)(H)	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	109.4254	8.177	213	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(OC)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(OC)	110.2448	3.118	39	110.2448	9.721	39	110.0218	9.336	51	109.9702	8.911	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]CH)(CC3)(OB)	C(CH3)3(NCO)	C(CCCN)(H)3	N(CC[6a]CH)(CC3)(OB)	109.2190	3.239	6	109.2190	10.494	6	110.0218	9.336	51	109.9702	8.911	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:	C(CHHO)(CH3)2(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(OC)	C(CHHO)(CH3)2(NCO)	C(CCCN)(H)3	N(CCHP)(CC3)(OC)	109.3747	2.705	6	109.3747	7.315	6	110.0218	9.336	51	109.9702	8.911	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:S-2:	C(CH3)3(NPS)	C(CCCN)(H)3	N(PC[6a]NO)(CC3)(SS)	C(CH3)3(NPS)	C(CCCN)(H)3	N(PC[6a]NO)(CC3)(SS)	109.0930	1.233	3	109.0930	1.521	3	109.0930	1.521	3	109.9702	8.911	54	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)2(NCC)	C(CCCN)(H)3	N(CCHH)2(CC3)	C(CCHH)(CH3)2(NCC)	C(CCCN)(H)3	N(CCHH)2(CC3)	110.7675	1.009	4	110.7675	1.017	4	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)2(CC3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CCHH)2(CC3)	110.0684	1.923	12	110.0684	3.699	12	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6]HH)2(CC3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6]HH)2(CC3)	110.0045	1.833	51	110.0045	3.359	51	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)(CC[6]HH)(CC3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)(CC[6]HH)(CC3)	110.2917	2.156	3	110.2917	4.648	3	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)2(CC3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CC[6a]HH)2(CC3)	110.0887	2.558	3	110.0887	6.543	3	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CHHP)2(CC3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CHHP)2(CC3)	110.3122	2.202	24	110.3122	4.848	24	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(NCC)	C(CCCN)(H)3	N(CHHS)2(CC3)	C(CH3)3(NCC)	C(CCCN)(H)3	N(CHHS)2(CC3)	109.5990	2.111	3	109.5990	4.458	3	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(CH3)2(NCC)	C(CCCN)(H)3	N(CCHH)2(CC3)	C(CHHO)(CH3)2(NCC)	C(CCCN)(H)3	N(CCHH)2(CC3)	110.2508	1.353	10	110.2508	1.831	10	110.1278	3.443	110	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(CH3)3(NCP)	C(CCCN)(H)3	N(PC[6a]2Pd)(CCHH)(CC3)	C(CH3)3(NCP)	C(CCCN)(H)3	N(PC[6a]2Pd)(CCHH)(CC3)	110.4183	2.199	12	110.4183	4.838	12	110.4183	4.838	12	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)3(NPP)	C(CCCN)(H)3	N(PC[6a]2Fe)2(CC3)	C(CH3)3(NPP)	C(CCCN)(H)3	N(PC[6a]2Fe)2(CC3)	110.1427	1.880	3	110.1427	3.534	3	110.1427	3.534	3	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C[5]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(C[5]C[5]N[5]H)(CH3)2(NCC)	C(CC[5]CN)(H)3	N(CC[6a]HH)(CC[5]CC)(CH3)	C(C[5]C[5]N[5]H)(CH3)2(NCC)	C(CC[5]CN)(H)3	N(CC[6a]HH)(CC[5]CC)(CH3)	110.7250	2.363	2	110.7250	5.584	2	110.7250	5.584	2	110.1650	3.514	127	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	5:4:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	S-5:C-4:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	N(SMgNOO)(CC3)(H)	C(CH3)3(NHS)	C(CCCN)(H)3	N(SMgNOO)(CC3)(H)	108.7520	3.291	3	108.7520	10.833	3	108.7520	10.833	3	108.7520	10.833	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:	C(CHHO)3(NHH)	C(CCCN)(OH)(H)2	N(CC3)(H)2	C(CHHO)3(NHH)	C(CCCN)(OH)(H)2	N(CC3)(H)2	108.7610	0.629	3	108.7610	0.396	3	108.7610	0.396	3	108.7610	0.396	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CCHH)(CC3)(H)	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	N(CCHH)(CC3)(H)	107.5350	0.000	1	107.5350	0.000	1	107.6603	2.232	3	108.1508	3.066	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]HH)(CC3)(H)	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	N(CC[6a]HH)(CC3)(H)	107.7230	2.107	2	107.7230	4.440	2	107.6603	2.232	3	108.1508	3.066	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:S-2:H-1:H-1:	S-4:C-4:H-1:	C(CHHS)(CH3)2(NHS)	C(CCCN)(SS)(H)2	N(SC[6a]OO)(CC3)(H)	C(CHHS)(CH3)2(NHS)	C(CCCN)(SS)(H)2	N(SC[6a]OO)(CC3)(H)	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	108.1508	3.066	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:1:	C[6]-4:C-4:C-4:N-3:	C-4:S-2:H-1:H-1:	S-4:C-4:H-1:	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C(CC[6]CN)(SC[6])(H)2	N(SC[6a]OO)(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C(CC[6]CN)(SC[6])(H)2	N(SC[6a]OO)(CC[6]CC)(H)	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	108.1508	3.066	5	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:2:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:	C(CHHO)(CH3)2(NCO)	C(CCCN)(OH)(H)2	N(CCHP)(CC3)(OC)	C(CHHO)(CH3)2(NCO)	C(CCCN)(OH)(H)2	N(CCHP)(CC3)(OC)	110.9660	4.277	3	110.9660	18.296	3	110.9660	18.296	3	110.9660	18.296	3	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)(CH3)2(NCC)	C(CCCN)(OH)(H)2	N(CCHH)2(CC3)	C(CHHO)(CH3)2(NCC)	C(CCCN)(OH)(H)2	N(CCHH)2(CC3)	112.4812	3.503	5	112.4812	12.269	5	111.6971	12.525	8	111.6971	12.525	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:2:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:	C(CHHO)3(NCC)	C(CCCN)(OH)(H)2	N(CCHH)2(CC3)	C(CHHO)3(NCC)	C(CCCN)(OH)(H)2	N(CCHH)2(CC3)	110.3903	3.899	3	110.3903	15.202	3	111.6971	12.525	8	111.6971	12.525	8	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCH)(H)2	N(CC3)(H)2	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCH)(H)2	N(CC3)(H)2	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(CCH)(H)2	N(CC3)(SCO)(H)	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(CCH)(H)2	N(CC3)(SCO)(H)	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CCH)(H)2	N(SC[6a]OO)(CC3)(H)	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CCH)(H)2	N(SC[6a]OO)(CC3)(H)	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	107.4510	2.442	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCH)(H)2	N(CC[5]HH)(CC3)(H)	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCH)(H)2	N(CC[5]HH)(CC3)(H)	107.3723	1.904	3	107.3723	3.627	3	107.3723	3.627	3	107.4510	2.442	4	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:3:2:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-3:O-2:H-1:	C-4:S-3:H-1:	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CCH)(OC)(H)	N(CC3)(SCO)(H)	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CCH)(OC)(H)	N(CC3)(SCO)(H)	112.0520	0.000	1	112.0520	0.000	1	112.0520	0.000	1	112.0520	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)(CH3)2(NHH)	C(CCCN)(CC3)(H)2	N(CC3)(H)2	C(CCHH)(CH3)2(NHH)	C(CCCN)(CC3)(H)2	N(CC3)(H)2	103.7750	0.000	1	103.7750	0.000	1	107.2978	13.566	4	107.0094	11.733	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CCHH)3(NHH)	C(CCCN)(CCHH)(H)2	N(CC3)(H)2	C(CCHH)3(NHH)	C(CCCN)(CCHH)(H)2	N(CC3)(H)2	108.4720	3.475	3	108.4720	12.075	3	107.2978	13.566	4	107.0094	11.733	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCHH)(H)2	N(CC3)(H)2	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCHH)(H)2	N(CC3)(H)2	114.1080	0.000	1	114.1080	0.000	1	114.1080	0.000	1	107.0094	11.733	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(NCoCH)(CCCN)(H)2	N(CC3)(H)2	C(CHHN)2(CH3)(NHH)	C(NCoCH)(CCCN)(H)2	N(CC3)(H)2	105.1070	0.147	2	105.1070	0.022	2	105.1070	0.022	2	107.0094	11.733	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:	C(CHHO)3(NHH)	C(OCuMo2)(CCCN)(H)2	N(CC3)(H)2	C(CHHO)3(NHH)	C(OCuMo2)(CCCN)(H)2	N(CC3)(H)2	105.5270	0.401	3	105.5270	0.161	3	105.5270	0.161	3	107.0094	11.733	10	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	N(CC3)(CNO)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	N(CC3)(CNO)(H)	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	N(CCHH)(CC3)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	N(CCHH)(CC3)(H)	107.9166	1.644	16	107.9166	2.703	16	107.9166	2.703	16	108.0659	2.932	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(H)2	N(CC3)(SO3)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(H)2	N(CC3)(SO3)(H)	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	108.0659	2.932	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(H)2	N(SC[6a]OO)(CC3)(H)	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(H)2	N(SC[6a]OO)(CC3)(H)	111.3250	0.000	1	111.3250	0.000	1	108.2843	7.311	3	108.0659	2.932	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:	C(CCHH)(CH3)2(NHS)	C(CCCN)(CC3)(H)2	N(SC[6a]OO)(CC3)(H)	C(CCHH)(CH3)2(NHS)	C(CCCN)(CC3)(H)2	N(SC[6a]OO)(CC3)(H)	106.7640	0.868	2	106.7640	0.754	2	108.2843	7.311	3	108.0659	2.932	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCHH)(H)2	N(CC[5]HH)(CC3)(H)	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCHH)(H)2	N(CC[5]HH)(CC3)(H)	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	108.0659	2.932	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:	C(CHHN)2(CH3)(NCH)	C(NCoCH)(CCCN)(H)2	N(CC[6a]HH)(CC3)(H)	C(CHHN)2(CH3)(NCH)	C(NCoCH)(CCCN)(H)2	N(CC[6a]HH)(CC3)(H)	108.5605	2.693	2	108.5605	7.254	2	108.5605	7.254	2	108.0659	2.932	23	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:4:4:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(CH3)2(NCC)	C(CCCN)(CCHN)(H)2	N(CCHH)2(CC3)	C(CCHH)(CH3)2(NCC)	C(CCCN)(CCHN)(H)2	N(CCHH)2(CC3)	108.8755	2.848	2	108.8755	8.108	2	108.8755	8.108	2	108.8755	8.108	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:2:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CCHH)(OH)(H)	N(CC3)(SO3)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CCHH)(OH)(H)	N(CC3)(SO3)(H)	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:3:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(COO)(H)	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(COO)(H)	N(CC3)(SCO)(H)	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:3:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	S-4:C-4:H-1:	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(CNO)(H)	N(SC[6a]OO)(CC3)(H)	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(CNO)(H)	N(SC[6a]OO)(CC3)(H)	107.1860	0.000	1	107.1860	0.000	1	107.1860	0.000	1	107.1860	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:3:2:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:O-2:	C-4:S-4:H-1:	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(CCC)(OH)	N(CC3)(SO3)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(CCC)(OH)	N(CC3)(SO3)(H)	104.5350	0.000	1	104.5350	0.000	1	104.5350	0.000	1	104.5350	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CH3)2(H)	N(CC3)(SCO)(H)	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CH3)2(H)	N(CC3)(SCO)(H)	105.8540	0.000	1	105.8540	0.000	1	106.9505	2.405	2	106.9505	2.405	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:4:1:	4:3:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	N(CC3)(SCO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	N(CC3)(SCO)(H)	108.0470	0.000	1	108.0470	0.000	1	106.9505	2.405	2	106.9505	2.405	2	111.8451	8.025	8113	111.8451	8.025	8113
490	490	956	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:4:1:	4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	S-4:C-4:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	N(SC[6a]OO)(CC3)(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	N(SC[6a]OO)(CC3)(H)	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	111.8451	8.025	8113	111.8451	8.025	8113